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#: 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

Cas#: 88247-69-2        Compound CID:  42608393

Formula:  C₂₇H₄₀D₆O₂        Molecular Weight: 408.69

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChIKey: INBGSXNNRGWLJU-KHKDDIDZSA-N

InChI: InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3