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CHEBI:138558 - (3E,5Z)-dodecadienoyl-CoA(4−)

ChEBI IDCHEBI:138558
ChEBI Name(3E,5Z)-dodecadienoyl-CoA(4−)
Stars
ASCII Name(3E,5Z)-dodecadienoyl-CoA(4-)
DefinitionA (3E,5Z)-dienoyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of (3E,5Z)-dodecadienoyl-CoA; major species at pH 7.3.
Last Modified21 November 2017
Submitternhn
DownloadsMolfile
FormulaC33H50N7O17P3S
Net Charge-4
Average Mass941.784
Monoisotopic Mass941.22187
SMILESCCCCCC/C=C\C=C\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/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-12,20-22,26-28,32,43-44H,4-8,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-,12-11+/t22-,26-,27-,28+,32-/m1/s1
InChIKeyARQUZFJQPYWSSL-IAMYAYMBSA-J
ChEBI Ontology
Outgoing Relation(s)
(3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558) is a (3E,5Z)-dienoyl-CoA(4−) (CHEBI:85110)
(3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
(3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558) is conjugate base of (3E,5Z)-dodecadienoyl-CoA (CHEBI:139121)
Incoming Relation(s)
(3E,5Z)-dodecadienoyl-CoA (CHEBI:139121) is conjugate acid of (3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558)
UniProt Name  Source
(3E,5Z)-dodecadienoyl-CoAUniProt
Citations