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

ChEBI IDCHEBI:74012
ChEBI Name(11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4−)
Stars
ASCII Name(11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA.
Last Modified14 June 2013
Submitterlaimo
DownloadsMolfile
FormulaC41H64N7O18P3S
Net Charge-4
Average Mass1067.983
Monoisotopic Mass1067.32633
SMILESCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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
InChIKeyPUWDUOCPCWFEFG-YGYQDCEASA-J
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
3-keto-(11Z,14Z)-icosa-11,14-dienoyl-CoA(4−)SUBMITTER
3-oxo-(11Z,14Z)-eicosa-11,14-dienoyl-CoA(4−)SUBMITTER
3-keto-(11Z,14Z)-e icosa-11,14-dienoyl-CoA(4−)SUBMITTER
3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-coenzyme A(4−)SUBMITTER
(11Z,14Z)-3-oxoeicosa-11,14-dienoyl-CoA(4−)ChEBI
(11Z,14Z)-3-oxoicosa-11,14-dienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoAUniProt