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

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ChEBI Name (3E,5Z)-dodecadienoyl-CoA(4−)
ChEBI ID CHEBI:138558
ChEBI ASCII Name (3E,5Z)-dodecadienoyl-CoA(4-)
Definition A (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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C33H50N7O17P3S
Net Charge -4
Average Mass 941.775
Monoisotopic Mass 941.22187
InChI InChI=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
InChIKey ARQUZFJQPYWSSL-IAMYAYMBSA-J
SMILES S(C(=O)C/C=C/C=C\CCCCCC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O
ChEBI Ontology
Outgoing (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 (3E,5Z)-dodecadienoyl-CoA (CHEBI:139121) is conjugate acid of (3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558)
Synonym Source
(3E,5Z)-dodecadienoyl-CoA UniProt
Citation Waiting for Citations Type Source
18576672 PubMed citation SUBMITTER
Last Modified
21 November 2017