CHEBI:87712 - (2E,4E)-tetradecadienoyl-CoA(4−)

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ChEBI Name (2E,4E)-tetradecadienoyl-CoA(4−)
ChEBI ID CHEBI:87712
ChEBI ASCII Name (2E,4E)-tetradecadienoyl-CoA(4-)
Definition A polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of phosphate and diphosphate OH groups of (2E,4E)-tetradecadienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information
Download Molfile XML SDF
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/h12-15,22-24,28-30,34,45-46H,4-11,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b13-12+,15-14+/t24-,28-,29-,30+,34-/m1/s1
InChIKey ULOGSHZMDLRQRY-INBGBNCRSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)/C=C/C=C/CCCCCCCCC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (2E,4E)-tetradecadienoyl-CoA(4−) (CHEBI:87712) is a 6-saturated-trans,trans-2,4-dienoyl-CoA(4−) (CHEBI:85111)
(2E,4E)-tetradecadienoyl-CoA(4−) (CHEBI:87712) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(2E,4E)-tetradecadienoyl-CoA(4−) (CHEBI:87712) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(2E,4E)-tetradecadienoyl-CoA(4−) (CHEBI:87712) is conjugate base of (2E,4E)-tetradecadienoyl-CoA (CHEBI:88084)
Incoming (2E,4E)-tetradecadienoyl-CoA (CHEBI:88084) is conjugate acid of (2E,4E)-tetradecadienoyl-CoA(4−) (CHEBI:87712)
Synonyms Sources
(2E,4E)-tetradecadienoyl-CoA UniProt
(2E,4E)-tetradecadienoyl-coenzyme A(4−) ChEBI
trans,trans-2,4-tetradecadienoyl-CoA(4−) SUBMITTER
trans,trans-2,4-tetradecadienoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-15566 MetaCyc
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Last Modified
01 October 2015