LIPID MAPS

Structure Database (LMSD)

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Common Name

(8Z,11Z,14Z,17Z)-3-oxoicosatetraenoyl-CoA

Systematic Name

3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z,14Z)-3-oxoicosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonyms

(8Z,11Z,14Z,17Z)-3-oxoeicosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-3-oxoeicosatetraenoyl-coenzyme A
(8Z,11Z,14Z,17Z)-3-oxoicosatetraenoyl-coenzyme A

LM ID

LMFA07050133

Formula

C₄₁H₆₄N₇O₁₈P₃S

Exact Mass

Calculate m/z

1067.324149

Sum Composition

CoA 20:5;O

Status

Active

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No other lipid differing only in stereochemistry/bond geometry found

Classification

Reactions

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String Representations

InChiKey (Click to copy)

VVLBCJHQULSXJN-QWOXCLFSSA-N

InChi (Click to copy)

InChI=1S/C41H64N7O18P3S/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/h5-6,8-9,11-12,14-15,27-28,30,34-36,40,52-53H,4,7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1

SMILES (Click to copy)

C(CC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O