Lipids

Cas#: 57677-53-9        Compound CID:  9881577

Formula:  (13C)C₁₅H₃₂O₂        Molecular Weight: 257.42

IUPAC Name: (113C)hexadecanoic acid

SMILES: CCCCCCCCCCCCCCCC(=O)O

InChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-N

InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1

Cas#: 127-27-5        Compound CID:  220338

Formula:  C₂₀H₃₀O₂        Molecular Weight: 302

IUPAC Name: (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

SMILES: CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C

InChIKey: MHVJRKBZMUDEEV-APQLOABGSA-N

InChI: InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1

Cas#: 112-80-1        Compound CID:  445639

Formula:  CH₃(CH₂)₇CH=CH(CH₂)₇COOH        Molecular Weight: 282.46

IUPAC Name: (Z)-octadec-9-enoic acid

SMILES: CCCCCCCCC=CCCCCCCCC(=O)O

InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N

InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

Cas#: 112-62-9       

Formula:  CH₃(CH₂)₇CH=CH(CH₂)₇CO₂CH₃        Molecular Weight: 296.5

IUPAC Name: methyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC

InChIKey: QYDYPVFESGNLHU-KHPPLWFESA-N

InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

Cas#: 570-08-1        Compound CID:  136365

Formula:  C₉H₁₄O₅        Molecular Weight: 202.21

IUPAC Name: diethyl 2-acetylpropanedioate

SMILES: CCOC(=O)C(C(=O)C)C(=O)OCC

InChIKey: SQAUUQRBOCJRCW-UHFFFAOYSA-N

InChI: InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3

Cas#: 555-44-2        Compound CID:  11147

Formula:  C₅₁H₉₈O₆        Molecular Weight: 807.32

IUPAC Name: 2,3-di(hexadecanoyloxy)propyl hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChIKey: PVNIQBQSYATKKL-UHFFFAOYSA-N

InChI: InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3

Cas#: 12126-59-9        Compound CID:  23676225

Formula:  C₁₈H₁₉NaO₅S        Molecular Weight: 370.4

IUPAC Name: sodium;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate

SMILES: CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+]

InChIKey: QTTMOCOWZLSYSV-QWAPEVOJSA-M

InChI: InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1