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Lipids and Lipid Derivatives

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2

Thermo Scientific Chemicals Palmitic acid, 98%

CAS: 57-10-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00002747 InChI Key: IPCSVZSSVZVIGE-UHFFFAOYSA-N Synonym: palmitic acid,cetylic acid,palmitate,n-hexadecanoic acid,hexadecylic acid,hydrofol,n-hexadecoic acid,1-pentadecanecarboxylic acid,palmitinic acid,pentadecanecarboxylic acid PubChem CID: 985 ChEBI: CHEBI:15756 IUPAC Name: hexadecanoic acid SMILES: CCCCCCCCCCCCCCCC(O)=O

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PubChem CID 985
CAS 57-10-3
Molecular Weight (g/mol) 256.43
ChEBI CHEBI:15756
MDL Number MFCD00002747
SMILES CCCCCCCCCCCCCCCC(O)=O
Synonym palmitic acid,cetylic acid,palmitate,n-hexadecanoic acid,hexadecylic acid,hydrofol,n-hexadecoic acid,1-pentadecanecarboxylic acid,palmitinic acid,pentadecanecarboxylic acid
IUPAC Name hexadecanoic acid
InChI Key IPCSVZSSVZVIGE-UHFFFAOYSA-N
Molecular Formula C16H32O2
3

Linalool, 97%

CAS: 78-70-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00008906 InChI Key: CDOSHBSSFJOMGT-UHFFFAOYSA-N Synonym: linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool PubChem CID: 6549 ChEBI: CHEBI:17580 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-ol SMILES: CC(=CCCC(C)(C=C)O)C

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PubChem CID 6549
CAS 78-70-6
Molecular Weight (g/mol) 154.253
ChEBI CHEBI:17580
MDL Number MFCD00008906
SMILES CC(=CCCC(C)(C=C)O)C
Synonym linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool
IUPAC Name 3,7-dimethylocta-1,6-dien-3-ol
InChI Key CDOSHBSSFJOMGT-UHFFFAOYSA-N
Molecular Formula C10H18O
4

Tin(II) 2-ethylhexanoate, 95%

CAS: 301-10-0 Molecular Formula: C16H30O4Sn Molecular Weight (g/mol): 405.122 MDL Number: MFCD00002676 InChI Key: KSBAEPSJVUENNK-UHFFFAOYSA-L Synonym: stannous octoate,tin ii 2-ethylhexanoate,tin octoate,tin ii bis 2-ethylhexanoate,tin 2+ bis 2-ethylhexanoate,tin ethylhexanoate,tin 2-ethylhexanoate,hexanoic acid, 2-ethyl-, tin 2+ salt,stannous 2-ethylhexoate,tin ii 2-ethylhexylate PubChem CID: 9318 IUPAC Name: 2-ethylhexanoate;tin(2+) SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]

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PubChem CID 9318
CAS 301-10-0
Molecular Weight (g/mol) 405.122
MDL Number MFCD00002676
SMILES CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
Synonym stannous octoate,tin ii 2-ethylhexanoate,tin octoate,tin ii bis 2-ethylhexanoate,tin 2+ bis 2-ethylhexanoate,tin ethylhexanoate,tin 2-ethylhexanoate,hexanoic acid, 2-ethyl-, tin 2+ salt,stannous 2-ethylhexoate,tin ii 2-ethylhexylate
IUPAC Name 2-ethylhexanoate;tin(2+)
InChI Key KSBAEPSJVUENNK-UHFFFAOYSA-L
Molecular Formula C16H30O4Sn
5

Thermo Scientific Chemicals all-trans-Retinoic acid, 97%

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra PubChem CID: 444795 ChEBI: CHEBI:15367 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

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PubChem CID 444795
CAS 302-79-4
Molecular Weight (g/mol) 300.44
ChEBI CHEBI:15367
MDL Number MFCD00001551
SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Synonym retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra
IUPAC Name (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
InChI Key SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula C20H28O2
6

Sodium taurocholate hydrate, 96%

CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,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]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

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PubChem CID 131632374
CAS 345909-26-4
Molecular Weight (g/mol) 537.688
MDL Number MFCD00150819
SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
Synonym sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,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]ethanesulfonate
InChI Key JAJWGJBVLPIOOH-VXFFEJGCSA-M
Molecular Formula C26H44NNaO7S
7

6-Aminohexanoic acid, 99%

CAS: 60-32-2 Molecular Formula: C6H13NO2 Molecular Weight (g/mol): 131.175 MDL Number: MFCD00008238 InChI Key: SLXKOJJOQWFEFD-UHFFFAOYSA-N Synonym: 6-aminocaproic acid,aminocaproic acid,amicar,epsikapron,capramol,caprocid,epsamon,eaca,acepramin,caprolisin PubChem CID: 564 ChEBI: CHEBI:16586 IUPAC Name: 6-aminohexanoic acid SMILES: C(CCC(=O)O)CCN

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PubChem CID 564
CAS 60-32-2
Molecular Weight (g/mol) 131.175
ChEBI CHEBI:16586
MDL Number MFCD00008238
SMILES C(CCC(=O)O)CCN
Synonym 6-aminocaproic acid,aminocaproic acid,amicar,epsikapron,capramol,caprocid,epsamon,eaca,acepramin,caprolisin
IUPAC Name 6-aminohexanoic acid
InChI Key SLXKOJJOQWFEFD-UHFFFAOYSA-N
Molecular Formula C6H13NO2
8

Potassium sorbate, 99%

CAS: 24634-61-5 Molecular Formula: C6H7KO2 Molecular Weight (g/mol): 150.22 InChI Key: CHHHXKFHOYLYRE-STWYSWDKSA-M Synonym: potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c PubChem CID: 23676745 ChEBI: CHEBI:77868 IUPAC Name: potassium;(2E,4E)-hexa-2,4-dienoate SMILES: CC=CC=CC(=O)[O-].[K+]

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PubChem CID 23676745
CAS 24634-61-5
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:77868
SMILES CC=CC=CC(=O)[O-].[K+]
Synonym potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c
IUPAC Name potassium;(2E,4E)-hexa-2,4-dienoate
InChI Key CHHHXKFHOYLYRE-STWYSWDKSA-M
Molecular Formula C6H7KO2
9

D(+)-Carvone, 98%, synthetic

CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C

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PubChem CID 16724
CAS 2244-16-8
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:15399
MDL Number MFCD00062997
SMILES CC1=CCC(CC1=O)C(=C)C
Synonym d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one
IUPAC Name (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key ULDHMXUKGWMISQ-VIFPVBQESA-N
Molecular Formula C10H14O
10

alpha-Terpineol, 97+%

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

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PubChem CID 17100
CAS 98-55-5
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:22469
MDL Number MFCD00001557
SMILES CC1=CCC(CC1)C(C)(C)O
Synonym alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol
IUPAC Name 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
InChI Key WUOACPNHFRMFPN-UHFFFAOYSA-N
Molecular Formula C10H18O
11

Methyl linoleate, 99%

CAS: 112-63-0 Molecular Formula: C19H34O2 Molecular Weight (g/mol): 294.48 MDL Number: MFCD00009534 InChI Key: WTTJVINHCBCLGX-NQLNTKRDSA-N Synonym: methyl linoleate,linoleic acid methyl ester,methyl lineoleate,methyl 9z,12z-octadeca-9,12-dienoate,methyl octadecadienoate,methyl 9-cis,12-cis-octadecadienoate,linoleic acid,methyl ester,linoleic acid, methyl ester,methyl linoleate, native,9,12-octadecadienoic acid z,z-, methyl ester PubChem CID: 5284421 ChEBI: CHEBI:69080 IUPAC Name: methyl (9Z,12Z)-octadeca-9,12-dienoate SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC

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PubChem CID 5284421
CAS 112-63-0
Molecular Weight (g/mol) 294.48
ChEBI CHEBI:69080
MDL Number MFCD00009534
SMILES CCCCCC=CCC=CCCCCCCCC(=O)OC
Synonym methyl linoleate,linoleic acid methyl ester,methyl lineoleate,methyl 9z,12z-octadeca-9,12-dienoate,methyl octadecadienoate,methyl 9-cis,12-cis-octadecadienoate,linoleic acid,methyl ester,linoleic acid, methyl ester,methyl linoleate, native,9,12-octadecadienoic acid z,z-, methyl ester
IUPAC Name methyl (9Z,12Z)-octadeca-9,12-dienoate
InChI Key WTTJVINHCBCLGX-NQLNTKRDSA-N
Molecular Formula C19H34O2
12

Vitamin A palmitate, 1.7 M.I.U./g

CAS: 79-81-2 Molecular Formula: C36H60O2 Molecular Weight (g/mol): 524.874 MDL Number: MFCD00019414 InChI Key: VYGQUTWHTHXGQB-FFHKNEKCSA-N Synonym: retinyl palmitate,vitamin a palmitate,retinol palmitate,retinol, hexadecanoate,arovit,all-trans-retinyl palmitate,optovit-a,retinyl hexadecanoate,aquapalm,dispatabs tabs PubChem CID: 5280531 ChEBI: CHEBI:17616 IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

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PubChem CID 5280531
CAS 79-81-2
Molecular Weight (g/mol) 524.874
ChEBI CHEBI:17616
MDL Number MFCD00019414
SMILES CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C
Synonym retinyl palmitate,vitamin a palmitate,retinol palmitate,retinol, hexadecanoate,arovit,all-trans-retinyl palmitate,optovit-a,retinyl hexadecanoate,aquapalm,dispatabs tabs
IUPAC Name [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
InChI Key VYGQUTWHTHXGQB-FFHKNEKCSA-N
Molecular Formula C36H60O2
13

L-Menthone, 97%

CAS: 14073-97-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001634,MFCD00136033 InChI Key: NFLGAXVYCFJBMK-BDAKNGLRSA-N Synonym: --menthone,l-menthone,menthone,trans-menthone,p-menthone,neomenthone,menthone racemic,trans-p-menthan-3-one,2s,5r-2-isopropyl-5-methylcyclohexanone,l-menthan-3-one PubChem CID: 26447 ChEBI: CHEBI:15410 IUPAC Name: (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one SMILES: CC(C)[C@@H]1CC[C@@H](C)CC1=O

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PubChem CID 26447
CAS 14073-97-3
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:15410
MDL Number MFCD00001634,MFCD00136033
SMILES CC(C)[C@@H]1CC[C@@H](C)CC1=O
Synonym --menthone,l-menthone,menthone,trans-menthone,p-menthone,neomenthone,menthone racemic,trans-p-menthan-3-one,2s,5r-2-isopropyl-5-methylcyclohexanone,l-menthan-3-one
IUPAC Name (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
InChI Key NFLGAXVYCFJBMK-BDAKNGLRSA-N
Molecular Formula C10H18O
14

1-Octanol, 99%, pure

CAS: 111-87-5 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00002988 InChI Key: KBPLFHHGFOOTCA-UHFFFAOYSA-N Synonym: 1-octanol,octanol,octyl alcohol,n-octanol,capryl alcohol,caprylic alcohol,n-octyl alcohol,heptyl carbinol,1-hydroxyoctane,primary octyl alcohol PubChem CID: 957 ChEBI: CHEBI:16188 IUPAC Name: octan-1-ol SMILES: CCCCCCCCO

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PubChem CID 957
CAS 111-87-5
Molecular Weight (g/mol) 130.23
ChEBI CHEBI:16188
MDL Number MFCD00002988
SMILES CCCCCCCCO
Synonym 1-octanol,octanol,octyl alcohol,n-octanol,capryl alcohol,caprylic alcohol,n-octyl alcohol,heptyl carbinol,1-hydroxyoctane,primary octyl alcohol
IUPAC Name octan-1-ol
InChI Key KBPLFHHGFOOTCA-UHFFFAOYSA-N
Molecular Formula C8H18O
15

Sodium caprylate, 98%

CAS: 1984-06-1 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.2 MDL Number: MFCD00058511 InChI Key: BYKRNSHANADUFY-UHFFFAOYSA-M Synonym: sodium octanoate,sodium caprylate,octanoic acid, sodium salt,sodium n-octanoate,sodium octoate,natrium octanoat,caprylic acid sodium salt,octanoic acid sodium salt,octanoic acid, sodium salt 1:1,unii-9xtm81vk2b PubChem CID: 23664772

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PubChem CID 23664772
CAS 1984-06-1
Molecular Weight (g/mol) 166.2
MDL Number MFCD00058511
Synonym sodium octanoate,sodium caprylate,octanoic acid, sodium salt,sodium n-octanoate,sodium octoate,natrium octanoat,caprylic acid sodium salt,octanoic acid sodium salt,octanoic acid, sodium salt 1:1,unii-9xtm81vk2b
InChI Key BYKRNSHANADUFY-UHFFFAOYSA-M
Molecular Formula C8H15NaO2