CHEBI:87701 - (2E,5Z)-tetradecadienoyl-CoA(4−)

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ChEBI Name (2E,5Z)-tetradecadienoyl-CoA(4−)
ChEBI ID CHEBI:87701
ChEBI ASCII Name (2E,5Z)-tetradecadienoyl-CoA(4-)
Definition An 2,3-trans-enoyl CoA(4−) obtained by deprotonation of phosphate and diphosphate OH groups of (2E,5Z)-tetradecadienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C35H54N7O17P3S
Net Charge -4
Average Mass 969.829
Monoisotopic Mass 969.25317
InChI InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,14-15,22-24,28-30,34,45-46H,4-10,13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b12-11-,15-14+/t24-,28-,29-,30+,34-/m1/s1
InChIKey JVEFYXPCQBMMAA-ZMLWRGBOSA-J
SMILES S(C(=O)\C=C\C/C=C\CCCCCCCC)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 (2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701) is a 4-saturated trans-2-enoyl-CoA(4−) (CHEBI:85097)
(2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701) is conjugate base of (2E,5Z)-tetradecadienoyl-CoA (CHEBI:88067)
Incoming (2E,5Z)-tetradecadienoyl-CoA (CHEBI:88067) is conjugate acid of (2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701)
Synonyms Sources
(2E,5Z)-tetradecadienoyl-CoA UniProt
(2E,5Z)-tetradecadienoyl-coenzyme A(4−) ChEBI
2trans,5cis-tetradecadienoyl-CoA(4−) SUBMITTER
2trans,5cis-tetradecadienoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD0-1162 MetaCyc
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Last Modified
10 March 2017