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Lipids and Lipid Derivatives

Nonpolar, water-insoluble biomolecules for energy storage, signaling, and membrane structures; include fatty acid conjugates, prenol lipids, fatty alcohols, steroids, fatty acid esters, cylcerolipids, fatty alcohol esters, and fatty acyl thioesters.
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1

2-Allyl-N-Boc-D-glycine dicyclohexylamine salt, 95%

CAS: 170899-08-8 Molecular Formula: C10H17NO4 Molecular Weight (g/mol): 215.249 MDL Number: MFCD01321012 InChI Key: BUPDPLXLAKNJMI-SSDOTTSWSA-N Synonym: boc-d-allylglycine,r-2-tert-butoxycarbonyl amino pent-4-enoic acid,boc-alpha-allyl-d-gly,boc-d-allyglycine.dcha,2r-2-tert-butoxycarbonyl amino pent-4-enoic acid,4-pentenoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,boc-d-allylglycine.dcha,d-boc-allylglycine,boc-d-allyglycine?dcha,boc-d-allyglycine?cha PubChem CID: 638723 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid SMILES: CC(C)(C)OC(=O)NC(CC=C)C(=O)O

PubChem CID 638723
CAS 170899-08-8
Molecular Weight (g/mol) 215.249
MDL Number MFCD01321012
SMILES CC(C)(C)OC(=O)NC(CC=C)C(=O)O
Synonym boc-d-allylglycine,r-2-tert-butoxycarbonyl amino pent-4-enoic acid,boc-alpha-allyl-d-gly,boc-d-allyglycine.dcha,2r-2-tert-butoxycarbonyl amino pent-4-enoic acid,4-pentenoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,boc-d-allylglycine.dcha,d-boc-allylglycine,boc-d-allyglycine?dcha,boc-d-allyglycine?cha
IUPAC Name (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI Key BUPDPLXLAKNJMI-SSDOTTSWSA-N
Molecular Formula C10H17NO4
2

Lithocholylglycine, TRC

CAS: 474-74-8 Molecular Formula: C26 H43 N O4 Molecular Weight (g/mol): 433.62 Synonym: Glycine, N-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-,Glycine, N-(3α-hydroxy-5β-cholan-24-oyl)- (8CI),Glycolithocholic acid (6CI,7CI),5β-Cholan-24-amide, N-(carboxymethyl)-3α-hydroxy- (8CI),Cholane, glycine deriv.,N-[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]glycine,3α-Hydroxy-5β-cholanic acid glycine ester,3α-Hydroxy-5β-cholanoylglycine,3α-Hydroxy-N-(carboxymethyl)-5β-cholan-24-amide,Lithocholic acid glycine conjugate,Lithocholylglycine,N-(3α-Hydroxy-5β-cholanoyl)glycine IUPAC Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

CAS 474-74-8
Molecular Weight (g/mol) 433.62
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym Glycine, N-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-,Glycine, N-(3α-hydroxy-5β-cholan-24-oyl)- (8CI),Glycolithocholic acid (6CI,7CI),5β-Cholan-24-amide, N-(carboxymethyl)-3α-hydroxy- (8CI),Cholane, glycine deriv.,N-[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]glycine,3α-Hydroxy-5β-cholanic acid glycine ester,3α-Hydroxy-5β-cholanoylglycine,3α-Hydroxy-N-(carboxymethyl)-5β-cholan-24-amide,Lithocholic acid glycine conjugate,Lithocholylglycine,N-(3α-Hydroxy-5β-cholanoyl)glycine
IUPAC Name 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Formula C26 H43 N O4
3

Glycocholic Acid, TRC

CAS: 475-31-0 Molecular Formula: C26 H43 N O6 Molecular Weight (g/mol): 465.62 Synonym: Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,Glycine, N-choloyl- (8CI),Glycoreductodehydrocholic acid (6CI),5β-Cholan-24-amide, N-(carboxymethyl)-3α,7α,12α-trihydroxy- (8CI),Cholane, glycine deriv.,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine,3α,7α,12α-Trihydroxy-5β-cholan-24-oylglycine,3α,7α,12α-Trihydroxy-5β-cholanic acid-24-glycine,3α,7α,12α-Trihydroxy-N-(carboxymethyl)-5β-cholan-24-amide,Cholylglycine,Glycine cholate,Glycocholic acid,Glycylcholic acid,N-Choloylglycine IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

CAS 475-31-0
Molecular Weight (g/mol) 465.62
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,Glycine, N-choloyl- (8CI),Glycoreductodehydrocholic acid (6CI),5β-Cholan-24-amide, N-(carboxymethyl)-3α,7α,12α-trihydroxy- (8CI),Cholane, glycine deriv.,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine,3α,7α,12α-Trihydroxy-5β-cholan-24-oylglycine,3α,7α,12α-Trihydroxy-5β-cholanic acid-24-glycine,3α,7α,12α-Trihydroxy-N-(carboxymethyl)-5β-cholan-24-amide,Cholylglycine,Glycine cholate,Glycocholic acid,Glycylcholic acid,N-Choloylglycine
IUPAC Name 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Formula C26 H43 N O6
4

Glycocholic Acid Sodium Salt, TRC

CAS: 863-57-0 Molecular Formula: C26 H42 N O6 . Na Molecular Weight (g/mol): 487.6045 Synonym: Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1),Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt (9CI),Glycine, N-choloyl-, monosodium salt (8CI),Cholane, glycine deriv.,Monosodium glycocholate,NSC 35609,Sodium cholylglycinate,Sodium glycocholate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-Choloylglycine Sodium Salt IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate SMILES: [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

CAS 863-57-0
Molecular Weight (g/mol) 487.6045
SMILES [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1),Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt (9CI),Glycine, N-choloyl-, monosodium salt (8CI),Cholane, glycine deriv.,Monosodium glycocholate,NSC 35609,Sodium cholylglycinate,Sodium glycocholate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-Choloylglycine Sodium Salt
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
Molecular Formula C26 H42 N O6 . Na
5

Glycohyodeoxycholic Acid, TRC

CAS: 13042-33-6 Molecular Formula: C26 H43 N O5 Molecular Weight (g/mol): 449.62 Synonym: N-[(3α,5β,6α)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine,N-(3α,6α-Dihydroxy-5β-cholan-24-oyl)glycine,Glycine Hyodeoxycholate,Glycylhyodeoxycholic Acid; IUPAC Name: 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

CAS 13042-33-6
Molecular Weight (g/mol) 449.62
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym N-[(3α,5β,6α)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine,N-(3α,6α-Dihydroxy-5β-cholan-24-oyl)glycine,Glycine Hyodeoxycholate,Glycylhyodeoxycholic Acid;
IUPAC Name 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Formula C26 H43 N O5
6

Glycocholic Acid Hydrate, TRC

CAS: 1192657-83-2 Molecular Formula: C26 H43 N O6 . x[H2 O] Molecular Weight (g/mol): 465.52 Synonym: N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Hydrate,N-Choloylglycine-d4,Glycoreductodehydrocholic Acid Hydrate,3α,7α,12α-Trihydroxy-5β-cholanic αcid-24-glycine Hydrate,Cholylglycine Hydrate,Glycine Cholate Hydrate; IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate SMILES: O.C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

CAS 1192657-83-2
Molecular Weight (g/mol) 465.52
SMILES O.C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Hydrate,N-Choloylglycine-d4,Glycoreductodehydrocholic Acid Hydrate,3α,7α,12α-Trihydroxy-5β-cholanic αcid-24-glycine Hydrate,Cholylglycine Hydrate,Glycine Cholate Hydrate;
IUPAC Name 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate
Molecular Formula C26 H43 N O6 . x[H2 O]
7

Glycoursodeoxycholic Acid, TRC

CAS: 64480-66-6 Molecular Formula: C26 H43 N O5 Molecular Weight (g/mol): 449.62 Synonym: N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,Glycoursodeoxycholic acid (6CI),N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,3α,7β-Dihydroxy-5β-cholanoylglycine,Glycylursodeoxycholic acid,N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine,Ursodeoxycholylglycine IUPAC Name: 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

CAS 64480-66-6
Molecular Weight (g/mol) 449.62
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,Glycoursodeoxycholic acid (6CI),N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,3α,7β-Dihydroxy-5β-cholanoylglycine,Glycylursodeoxycholic acid,N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine,Ursodeoxycholylglycine
IUPAC Name 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Formula C26 H43 N O5
8

Glycolithocholic Acid Sodium Salt, TRC

CAS: 24404-83-9 Molecular Formula: C26H42NNaO4 Molecular Weight (g/mol): 455.61 Synonym: Sodium Glycolithocholate,N-(3alpha-Hydroxy-5beta-cholan-24-oyl)glycine Sodium Salt,N-[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]glycine Sodium Salt; IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate SMILES: [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

CAS 24404-83-9
Molecular Weight (g/mol) 455.61
SMILES [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym Sodium Glycolithocholate,N-(3alpha-Hydroxy-5beta-cholan-24-oyl)glycine Sodium Salt,N-[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]glycine Sodium Salt;
IUPAC Name sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
Molecular Formula C26H42NNaO4
9

Glycochenodeoxycholic Acid Sodium, 95%, TRC

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Percent Purity >95
CAS 16564-43-5
Molecular Weight (g/mol) 471.61
InChI Formula InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1
Chemical Name or Material Glycochenodeoxycholic Acid Sodium Salt
SMILES [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Sodium,N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Monosodium,NSC 681056,Sodium Chenodeoxycholylglycine,Sodium Glycochenodeoxycholate,Sodium Glycochenodesoxycholate
Purity Grade Notes HPLC
Recommended Storage -20°C
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
Molecular Formula C26 H42 N O5 . Na
Formula Weight 471.2961
10

Glycochenodeoxycholic Acid Sodium Salt (Ultra pure, >97%), TRC

CAS: 16564-43-5 Molecular Formula: C26 H42 N O5 . Na Molecular Weight (g/mol): 471.61 Synonym: N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Monosodium Salt,NSC 681056,Sodium Chenodeoxycholylglycine,Sodium Glycochenodeoxycholate,Sodium Glycochenodesoxycholate; IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate SMILES: [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

CAS 16564-43-5
Molecular Weight (g/mol) 471.61
SMILES [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Monosodium Salt,NSC 681056,Sodium Chenodeoxycholylglycine,Sodium Glycochenodeoxycholate,Sodium Glycochenodesoxycholate;
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
Molecular Formula C26 H42 N O5 . Na
11

Glycocholic Acid Hydrate Sodium Salt, TRC

CAS: 338950-81-5 Molecular Formula: C26 H42 N O6 . Na . H2 O Molecular Weight (g/mol): 505.62 Synonym: Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt, hydrate (9CI),Glycocholic acid sodium salt hydrate,Sodium glycocholate hydrate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine sodium salt hydrate,Glycocholic acid sodium salt hydrate,Monosodium glycocholate hydrate,Sodium cholylglycinate hydrate IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;hydrate SMILES: O.[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

CAS 338950-81-5
Molecular Weight (g/mol) 505.62
SMILES O.[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt, hydrate (9CI),Glycocholic acid sodium salt hydrate,Sodium glycocholate hydrate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine sodium salt hydrate,Glycocholic acid sodium salt hydrate,Monosodium glycocholate hydrate,Sodium cholylglycinate hydrate
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;hydrate
Molecular Formula C26 H42 N O6 . Na . H2 O
12

Glycochenodeoxycholic Acid 3-Sulfate Disodium Salt, TRC

CAS: 66874-09-7 Molecular Formula: C26H41NNa2O8S Molecular Weight (g/mol): 573.65 Synonym: N-[(3α,5β,7α)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine Disodium Salt,Glycochenodeoxycholic Acid 3α-Sulfate Disodium Salt; SMILES: C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]

CAS 66874-09-7
Molecular Weight (g/mol) 573.65
SMILES C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]
Synonym N-[(3α,5β,7α)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine Disodium Salt,Glycochenodeoxycholic Acid 3α-Sulfate Disodium Salt;
Molecular Formula C26H41NNa2O8S
13

N-Boc-2-propargyl-D-glycine, 95%, Thermo Scientific™

CAS: 63039-46-3 Molecular Formula: C10H14NO4 Molecular Weight (g/mol): 212.23 MDL Number: MFCD01320886 InChI Key: AMKHAJIFPHJYMH-SSDOTTSWSA-M Synonym: boc-d-propargylglycine,r-2-tert-butoxycarbonyl amino pent-4-ynoic acid,n-boc-2-propargyl-d-glycine,boc-d-pra-oh,s-n-boc-propargylglycine,2r-2-tert-butoxycarbonyl amino pent-4-ynoic acid,boc-d-gly propargyl-oh,boc-r-2-propargylglycine,n-tert-butoxycarbonyl-3-ethynyl-d-alanine,2-r-tert-butoxycarbonylaminopent-4-ynoic acid PubChem CID: 7009126 SMILES: CC(C)(C)OC(=O)N[C@H](CC#C)C([O-])=O

PubChem CID 7009126
CAS 63039-46-3
Molecular Weight (g/mol) 212.23
MDL Number MFCD01320886
SMILES CC(C)(C)OC(=O)N[C@H](CC#C)C([O-])=O
Synonym boc-d-propargylglycine,r-2-tert-butoxycarbonyl amino pent-4-ynoic acid,n-boc-2-propargyl-d-glycine,boc-d-pra-oh,s-n-boc-propargylglycine,2r-2-tert-butoxycarbonyl amino pent-4-ynoic acid,boc-d-gly propargyl-oh,boc-r-2-propargylglycine,n-tert-butoxycarbonyl-3-ethynyl-d-alanine,2-r-tert-butoxycarbonylaminopent-4-ynoic acid
InChI Key AMKHAJIFPHJYMH-SSDOTTSWSA-M
Molecular Formula C10H14NO4
14

N-Boc-2-propargyl-L-glycine, 95%, Thermo Scientific™

CAS: 63039-48-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD01320855 InChI Key: AMKHAJIFPHJYMH-ZETCQYMHSA-N Synonym: boc-l-propargylglycine,s-2-tert-butoxycarbonyl amino pent-4-ynoic acid,boc-pra-oh,boc-propargyl-gly-oh,n-boc-2-propargyl-l-glycine,2s-2-tert-butoxycarbonylamino pent-4-ynoic acid,2s-2-tert-butoxycarbonyl amino pent-4-ynoic acid,4-pentynoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2s,boc-propargylglycine,boc-l-propargyl glycine PubChem CID: 2734488 IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid SMILES: CC(C)(C)OC(=O)NC(CC#C)C(=O)O

PubChem CID 2734488
CAS 63039-48-5
Molecular Weight (g/mol) 213.233
MDL Number MFCD01320855
SMILES CC(C)(C)OC(=O)NC(CC#C)C(=O)O
Synonym boc-l-propargylglycine,s-2-tert-butoxycarbonyl amino pent-4-ynoic acid,boc-pra-oh,boc-propargyl-gly-oh,n-boc-2-propargyl-l-glycine,2s-2-tert-butoxycarbonylamino pent-4-ynoic acid,2s-2-tert-butoxycarbonyl amino pent-4-ynoic acid,4-pentynoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2s,boc-propargylglycine,boc-l-propargyl glycine
IUPAC Name (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
InChI Key AMKHAJIFPHJYMH-ZETCQYMHSA-N
Molecular Formula C10H15NO4
15

2-Allyl-N-Boc-L-glycine dicyclohexylamine salt, 95%, Thermo Scientific™

CAS: 143979-15-1 Molecular Formula: C22H40N2O4 Molecular Weight (g/mol): 396.572 MDL Number: MFCD01321013 InChI Key: VMCGMPITVQIMGK-ZLTKDMPESA-N Synonym: dicyclohexylamine s-2-tert-butoxycarbonyl amino pent-4-enoate,boc-l-2-allylglycine dicyclohexylamine salt,boc-l-allylglycine.dcha,boc-l-allylglycine-dcha,boc-l-allylglycine dicyclohexylaminoium salt,boc-d-allylglycine-dcha,2s-2-tert-butoxycarbonyl amino pent-4-enoic acid; dicha,boc-l-allylglycine dcha,boc-algly-oh dcha,boc-l-allyglycine?cha PubChem CID: 2755982 IUPAC Name: N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid SMILES: CC(C)(C)OC(=O)NC(CC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2

PubChem CID 2755982
CAS 143979-15-1
Molecular Weight (g/mol) 396.572
MDL Number MFCD01321013
SMILES CC(C)(C)OC(=O)NC(CC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2
Synonym dicyclohexylamine s-2-tert-butoxycarbonyl amino pent-4-enoate,boc-l-2-allylglycine dicyclohexylamine salt,boc-l-allylglycine.dcha,boc-l-allylglycine-dcha,boc-l-allylglycine dicyclohexylaminoium salt,boc-d-allylglycine-dcha,2s-2-tert-butoxycarbonyl amino pent-4-enoic acid; dicha,boc-l-allylglycine dcha,boc-algly-oh dcha,boc-l-allyglycine?cha
IUPAC Name N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI Key VMCGMPITVQIMGK-ZLTKDMPESA-N
Molecular Formula C22H40N2O4