Lipids and Lipid Derivatives
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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+]
| 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 |
2-Ethylhexane-1,3-diol, 97%
CAS: 94-96-2 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004578 InChI Key: RWLALWYNXFYRGW-UHFFFAOYNA-N Synonym: 2-ethyl-1,3-hexanediol,ethohexadiol,1,3-hexanediol, 2-ethyl,octylene glycol,ethyl hexanediol,carbide 6-12,repellent 612,rutgers 612,6-12-insect repellent,diol-kyowa 8 PubChem CID: 7211 ChEBI: CHEBI:34273 IUPAC Name: 2-ethylhexane-1,3-diol SMILES: CCCC(O)C(CC)CO
| PubChem CID | 7211 |
|---|---|
| CAS | 94-96-2 |
| Molecular Weight (g/mol) | 146.23 |
| ChEBI | CHEBI:34273 |
| MDL Number | MFCD00004578 |
| SMILES | CCCC(O)C(CC)CO |
| Synonym | 2-ethyl-1,3-hexanediol,ethohexadiol,1,3-hexanediol, 2-ethyl,octylene glycol,ethyl hexanediol,carbide 6-12,repellent 612,rutgers 612,6-12-insect repellent,diol-kyowa 8 |
| IUPAC Name | 2-ethylhexane-1,3-diol |
| InChI Key | RWLALWYNXFYRGW-UHFFFAOYNA-N |
| Molecular Formula | C8H18O2 |
Octanoic acid, 98+%
CAS: 124-07-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00004429 InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N Synonym: caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid PubChem CID: 379 ChEBI: CHEBI:28837 IUPAC Name: octanoic acid SMILES: CCCCCCCC(=O)O
| PubChem CID | 379 |
|---|---|
| CAS | 124-07-2 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:28837 |
| MDL Number | MFCD00004429 |
| SMILES | CCCCCCCC(=O)O |
| Synonym | caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid |
| IUPAC Name | octanoic acid |
| InChI Key | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Methyl caprate, 98+%
CAS: 110-42-9 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009580 InChI Key: YRHYCMZPEVDGFQ-UHFFFAOYSA-N Synonym: methyl caprate,decanoic acid, methyl ester,methyl caprinate,capric acid methyl ester,decanoic acid methyl ester,methyl-n-caprate,uniphat a30,metholene 2095,methyl n-decanoate,methyl n-caprate PubChem CID: 8050 IUPAC Name: methyl decanoate SMILES: CCCCCCCCCC(=O)OC
| PubChem CID | 8050 |
|---|---|
| CAS | 110-42-9 |
| Molecular Weight (g/mol) | 186.30 |
| MDL Number | MFCD00009580 |
| SMILES | CCCCCCCCCC(=O)OC |
| Synonym | methyl caprate,decanoic acid, methyl ester,methyl caprinate,capric acid methyl ester,decanoic acid methyl ester,methyl-n-caprate,uniphat a30,metholene 2095,methyl n-decanoate,methyl n-caprate |
| IUPAC Name | methyl decanoate |
| InChI Key | YRHYCMZPEVDGFQ-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
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
| 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 |
Guaiazulene, 99%
CAS: 489-84-9 Molecular Formula: C15H18 Molecular Weight (g/mol): 198.31 InChI Key: FWKQNCXZGNBPFD-UHFFFAOYSA-N Synonym: guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen PubChem CID: 3515 ChEBI: CHEBI:5550 IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
| PubChem CID | 3515 |
|---|---|
| CAS | 489-84-9 |
| Molecular Weight (g/mol) | 198.31 |
| ChEBI | CHEBI:5550 |
| SMILES | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
| Synonym | guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen |
| IUPAC Name | 1,4-dimethyl-7-propan-2-ylazulene |
| InChI Key | FWKQNCXZGNBPFD-UHFFFAOYSA-N |
| Molecular Formula | C15H18 |
2-Ethylbutyric acid, 98%
CAS: 88-09-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002670 InChI Key: OXQGTIUCKGYOAA-UHFFFAOYSA-N Synonym: 2-ethylbutyric acid,diethylacetic acid,butanoic acid, 2-ethyl,acetic acid, diethyl,3-pentanecarboxylic acid,2-ethyl butanoic acid,diethyl acetic acid,butyric acid, 2-ethyl,2-ethyl-butyric acid,alpha-ethylbutyric acid PubChem CID: 6915 IUPAC Name: 2-ethylbutanoic acid SMILES: CCC(CC)C(=O)O
| PubChem CID | 6915 |
|---|---|
| CAS | 88-09-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00002670 |
| SMILES | CCC(CC)C(=O)O |
| Synonym | 2-ethylbutyric acid,diethylacetic acid,butanoic acid, 2-ethyl,acetic acid, diethyl,3-pentanecarboxylic acid,2-ethyl butanoic acid,diethyl acetic acid,butyric acid, 2-ethyl,2-ethyl-butyric acid,alpha-ethylbutyric acid |
| IUPAC Name | 2-ethylbutanoic acid |
| InChI Key | OXQGTIUCKGYOAA-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
L(-)-Carvone, 99%
CAS: 6485-40-1 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001578 InChI Key: ULDHMXUKGWMISQ-SECBINFHSA-N Synonym: --carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone PubChem CID: 439570 ChEBI: CHEBI:15400 IUPAC Name: (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC(=C)[C@@H]1CC=C(C)C(=O)C1
| PubChem CID | 439570 |
|---|---|
| CAS | 6485-40-1 |
| Molecular Weight (g/mol) | 150.22 |
| ChEBI | CHEBI:15400 |
| MDL Number | MFCD00001578 |
| SMILES | CC(=C)[C@@H]1CC=C(C)C(=O)C1 |
| Synonym | --carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone |
| IUPAC Name | (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
| InChI Key | ULDHMXUKGWMISQ-SECBINFHSA-N |
| Molecular Formula | C10H14O |
1-Octanol, natural, 98%
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
| 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 |
Heptanoic acid, 98+%
CAS: 111-14-8 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00004426 InChI Key: MNWFXJYAOYHMED-UHFFFAOYSA-N Synonym: enanthic acid,oenanthic acid,n-heptanoic acid,enanthylic acid,heptoic acid,n-heptoic acid,n-heptylic acid,heptylic acid,oenanthylic acid,1-hexanecarboxylic acid PubChem CID: 8094 ChEBI: CHEBI:45571 IUPAC Name: heptanoic acid SMILES: CCCCCCC(=O)O
| PubChem CID | 8094 |
|---|---|
| CAS | 111-14-8 |
| Molecular Weight (g/mol) | 130.187 |
| ChEBI | CHEBI:45571 |
| MDL Number | MFCD00004426 |
| SMILES | CCCCCCC(=O)O |
| Synonym | enanthic acid,oenanthic acid,n-heptanoic acid,enanthylic acid,heptoic acid,n-heptoic acid,n-heptylic acid,heptylic acid,oenanthylic acid,1-hexanecarboxylic acid |
| IUPAC Name | heptanoic acid |
| InChI Key | MNWFXJYAOYHMED-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Methyl laurate, 98+%
CAS: 111-82-0 Molecular Formula: C13H26O2 Molecular Weight (g/mol): 214.35 MDL Number: MFCD00008966 InChI Key: UQDUPQYQJKYHQI-UHFFFAOYSA-N Synonym: methyl laurate,lauric acid methyl ester,dodecanoic acid, methyl ester,methyl laurinate,methyl dodecylate,methyl n-dodecanoate,uniphat a40,metholene 2296,lauric acid, methyl ester,stepan c40 PubChem CID: 8139 ChEBI: CHEBI:87494 IUPAC Name: methyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OC
| PubChem CID | 8139 |
|---|---|
| CAS | 111-82-0 |
| Molecular Weight (g/mol) | 214.35 |
| ChEBI | CHEBI:87494 |
| MDL Number | MFCD00008966 |
| SMILES | CCCCCCCCCCCC(=O)OC |
| Synonym | methyl laurate,lauric acid methyl ester,dodecanoic acid, methyl ester,methyl laurinate,methyl dodecylate,methyl n-dodecanoate,uniphat a40,metholene 2296,lauric acid, methyl ester,stepan c40 |
| IUPAC Name | methyl dodecanoate |
| InChI Key | UQDUPQYQJKYHQI-UHFFFAOYSA-N |
| Molecular Formula | C13H26O2 |
Stearic Acid, Free Acid, 99%, MP Biomedicals™
CAS: 57-11-4 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00002752 InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N Synonym: stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid PubChem CID: 5281 ChEBI: CHEBI:28842 IUPAC Name: octadecanoic acid SMILES: CCCCCCCCCCCCCCCCCC(O)=O
| PubChem CID | 5281 |
|---|---|
| CAS | 57-11-4 |
| Molecular Weight (g/mol) | 284.48 |
| ChEBI | CHEBI:28842 |
| MDL Number | MFCD00002752 |
| SMILES | CCCCCCCCCCCCCCCCCC(O)=O |
| Synonym | stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid |
| IUPAC Name | octadecanoic acid |
| InChI Key | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| Molecular Formula | C18H36O2 |
Geranyl bromide, 96%
CAS: 6138-90-5 Molecular Formula: C10H17Br Molecular Weight (g/mol): 217.15 MDL Number: MFCD00000243 InChI Key: JSCUZAYKVZXKQE-JXMROGBWSA-N Synonym: geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide PubChem CID: 5365867 IUPAC Name: (2E)-1-bromo-3,7-dimethylocta-2,6-diene SMILES: CC(=CCCC(=CCBr)C)C
| PubChem CID | 5365867 |
|---|---|
| CAS | 6138-90-5 |
| Molecular Weight (g/mol) | 217.15 |
| MDL Number | MFCD00000243 |
| SMILES | CC(=CCCC(=CCBr)C)C |
| Synonym | geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide |
| IUPAC Name | (2E)-1-bromo-3,7-dimethylocta-2,6-diene |
| InChI Key | JSCUZAYKVZXKQE-JXMROGBWSA-N |
| Molecular Formula | C10H17Br |
Cortisone
CAS: 53-06-5 Molecular Formula: C21H28O5 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00003610 InChI Key: MFYSYFVPBJMHGN-ZPOLXVRWSA-N Synonym: cortisone,andreson,cortisal,cortisate,cortistal,cortivite,cortogen,cortone,kendall's compound e,adrenalex PubChem CID: 222786 ChEBI: CHEBI:16962 IUPAC Name: (1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
| PubChem CID | 222786 |
|---|---|
| CAS | 53-06-5 |
| Molecular Weight (g/mol) | 360.45 |
| ChEBI | CHEBI:16962 |
| MDL Number | MFCD00003610 |
| SMILES | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |
| Synonym | cortisone,andreson,cortisal,cortisate,cortistal,cortivite,cortogen,cortone,kendall's compound e,adrenalex |
| IUPAC Name | (1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione |
| InChI Key | MFYSYFVPBJMHGN-ZPOLXVRWSA-N |
| Molecular Formula | C21H28O5 |
Carvacrol, Thermo Scientific Chemicals
CAS: 499-75-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002236 InChI Key: RECUKUPTGUEGMW-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-(propan-2-yl)phenol SMILES: CC(C)C1=CC=C(C)C(O)=C1
| CAS | 499-75-2 |
|---|---|
| Molecular Weight (g/mol) | 150.22 |
| MDL Number | MFCD00002236 |
| SMILES | CC(C)C1=CC=C(C)C(O)=C1 |
| IUPAC Name | 2-methyl-5-(propan-2-yl)phenol |
| InChI Key | RECUKUPTGUEGMW-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |