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

ChEBI IDCHEBI:87712
ChEBI Name(2E,4E)-tetradecadienoyl-CoA(4−)
Stars
ASCII Name(2E,4E)-tetradecadienoyl-CoA(4-)
DefinitionA 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.
Last Modified1 October 2015
Submitterlaimo
DownloadsMolfile
FormulaC35H54N7O17P3S
Net Charge-4
Average Mass969.838
Monoisotopic Mass969.25317
SMILESCCCCCCCCC/C=C/C=C/C(=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/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
InChIKeyULOGSHZMDLRQRY-INBGBNCRSA-J
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(2E,4E)-tetradecadienoyl-CoA (CHEBI:88084) is conjugate acid of (2E,4E)-tetradecadienoyl-CoA(4−) (CHEBI:87712)
Synonyms  Source
trans,trans-2,4-tetradecadienoyl-CoA(4−)SUBMITTER
trans,trans-2,4-tetradecadienoyl-coenzyme A(4−)ChEBI
(2E,4E)-tetradecadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E,4E)-tetradecadienoyl-CoAUniProt
Manual XrefsDatabases
CPD-15566MetaCyc