LIPID MAPS

Structure Database (LMSD)

Common Name

oleoyl-CoA

Systematic Name

9Z-octadecenoyl-CoA

Synonyms

(9Z)-octadec-9-enoyl-CoA
(9Z)-octadec-9-enoyl-coenzyme A
Oleoyl-coenzyme A
S-Oleoylcoenzyme A
S-[(9Z)-octadec-9-enoyl]-CoA
S-[(9Z)-octadec-9-enoyl]-coenzyme A
S-oleoyl-CoA
cis-9-octadecenoyl-CoA
cis-9-octadecenoyl-coenzyme A
cis-Delta(9)-octadecenoyl-CoA
cis-Delta(9)-octadecenoyl-coenzyme A

LM ID

LMFA07050356

Status

Active

Exact Mass

Calculate m/z

1031.360534

Formula

C₃₉H₆₈N₇O₁₇P₃S

Abbrev

CoA 18:1

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

XDUHQPOXLUAVEE-BPMMELMSSA-N

InChi (Click to copy)

InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1

SMILES (Click to copy)

[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CCCCCCC/C=C\CCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2