LIPID MAPS

Structure Database (LMSD)

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Common Name

(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA

Systematic Name

3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-3-oxoicosa-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

Synonyms

(9Z,12Z,15Z)-3-ketoeicosatrienoyl-CoA
(9Z,12Z,15Z)-3-ketoeicosatrienoyl-coenzyme A
(9Z,12Z,15Z)-3-ketoicosatrienoyl-CoA
(9Z,12Z,15Z)-3-ketoicosatrienoyl-coenzyme A
(9Z,12Z,15Z)-3-oxoeicosatrienoyl-CoA
(9Z,12Z,15Z)-3-oxoeicosatrienoyl-coenzyme A
(9Z,12Z,15Z)-3-oxoicosatrienoyl-coenzyme A

LM ID

LMFA07050137

Formula

C₄₁H₆₆N₇O₁₈P₃S

Exact Mass

Calculate m/z

1069.339799

Sum Composition

CoA 20:4;O

Status

Active

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Classification

Reactions

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String Representations

InChiKey (Click to copy)

JNPQHWUFHAXGTJ-OIOULCSKSA-N

InChi (Click to copy)

InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h7-8,10-11,13-14,27-28,30,34-36,40,52-53H,4-6,9,12,15-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b8-7-,11-10-,14-13-/t30-,34-,35-,36+,40-/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(CC(CCCCC/C=C\C/C=C\C/C=C\CCCC)=O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2