Lipids

Cas#: 287111-28-8        Compound CID:  71749794

Formula:  (13C)₁₈H₃₀O₂        Molecular Weight: 296.3

IUPAC Name: (9Z,12Z,15Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadeca-9,12,15-trienoic acid

SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O

InChIKey: DTOSIQBPPRVQHS-JHNAZIRYSA-N

InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1

Cas#: 55726-22-2        Compound CID:  567077

Formula:  C₄₀H₇₈O₃        Molecular Weight: 607.06

IUPAC Name: icosanoyl icosanoate

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCCC

InChIKey: AUONNNVJUCSETH-UHFFFAOYSA-N

InChI: InChI=1S/C40H78O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41)43-40(42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3

Cas#: 14047-60-0        Compound CID:  23674758

Formula:  C₉H₁₇NaO₂        Molecular Weight: 180.22

IUPAC Name: sodium;nonanoate

SMILES: CCCCCCCCC(=O)[O-].[Na+]

InChIKey: LTOCMXUTASYUOC-UHFFFAOYSA-M

InChI: InChI=1S/C9H18O2.Na/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1

Cas#: 7757-81-5        Compound CID:  23665582

Formula:  C₆H₇NaO₂        Molecular Weight: 134.11

IUPAC Name: sodium;(2E,4E)-hexa-2,4-dienoate

SMILES: CC=CC=CC(=O)[O-].[Na+]

InChIKey: LROWVYNUWKVTCU-STWYSWDKSA-M

InChI: InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;

Cas#: 629-25-4        Compound CID:  2735067

Formula:  C₁₂H₂₃NaO₂        Molecular Weight: 222.3

IUPAC Name: sodium;dodecanoate

SMILES: CCCCCCCCCCCC(=O)[O-].[Na+]

InChIKey: BTURAGWYSMTVOW-UHFFFAOYSA-M

InChI: InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1