CHEBI:74012 - (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4−)

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ChEBI Name (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4−)
ChEBI ID CHEBI:74012
ChEBI ASCII Name (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C41H64N7O18P3S
Net Charge -4
Average Mass 1067.96900
Monoisotopic Mass 1067.32633
InChI InChI=1S/C41H68N7O18P3S/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/h8-9,11-12,27-28,30,34-36,40,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-/t30-,34-,35-,36+,40-/m1/s1
InChIKey PUWDUOCPCWFEFG-YGYQDCEASA-J
SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4−) (CHEBI:74012) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4−) (CHEBI:74012) is conjugate base of (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA (CHEBI:74109)
Incoming (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA (CHEBI:74109) is conjugate acid of (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4−) (CHEBI:74012)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z,14Z)-3-oxoicosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(11Z,14Z)-3-oxoeicosa-11,14-dienoyl-CoA(4−) ChEBI
(11Z,14Z)-3-oxoeicosa-11,14-dienoyl-coenzyme A(4−) ChEBI
(11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA UniProt
(11Z,14Z)-3-oxoicosa-11,14-dienoyl-coenzyme A(4−) ChEBI
3-keto-(11Z,14Z)-e icosa-11,14-dienoyl-CoA(4−) SUBMITTER
3-keto-(11Z,14Z)-icosa-11,14-dienoyl-CoA(4−) SUBMITTER
3-oxo-(11Z,14Z)-eicosa-11,14-dienoyl-CoA(4−) SUBMITTER
3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-coenzyme A(4−) SUBMITTER
Last Modified
14 June 2013