Lipids

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#: 111-62-6        Compound CID:  5363269

Formula:  C₂₀H₃₈O₂        Molecular Weight: 310.51

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

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC

InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N

InChI: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-

Cas#: 141-24-2        Compound CID:  5354133

Formula:  C₁₉H₃₆O₃        Molecular Weight: 312.49

IUPAC Name: methyl (Z,12R)-12-hydroxyoctadec-9-enoate

SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OC)O

InChIKey: XKGDWZQXVZSXAO-ADYSOMBNSA-N

InChI: InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1

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