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CHEBI:87710 - (3E)-tetradecenoyl-CoA(4−)

ChEBI IDCHEBI:87710
ChEBI Name(3E)-tetradecenoyl-CoA(4−)
Stars
ASCII Name(3E)-tetradecenoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) obtained by deprotonation of phosphate and diphosphate OH groups of (3E)-tetradecenoyl-CoA; major species at pH 7.3.
Last Modified1 October 2015
Submitterlaimo
DownloadsMolfile
FormulaC35H56N7O17P3S
Net Charge-4
Average Mass971.854
Monoisotopic Mass971.26882
SMILESCCCCCCCCCC/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/C35H60N7O17P3S/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/h13-14,22-24,28-30,34,45-46H,4-12,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b14-13+/t24-,28-,29-,30+,34-/m1/s1
InChIKeySSOCUKXLUZQJHU-CTFJFIKLSA-J
ChEBI Ontology
Outgoing Relation(s)
(3E)-tetradecenoyl-CoA(4−) (CHEBI:87710) is a trans-3-enoyl-CoA(4−) (CHEBI:58521)
(3E)-tetradecenoyl-CoA(4−) (CHEBI:87710) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(3E)-tetradecenoyl-CoA(4−) (CHEBI:87710) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(3E)-tetradecenoyl-CoA(4−) (CHEBI:87710) is conjugate base of (3E)-tetradecenoyl-CoA (CHEBI:88083)
Incoming Relation(s)
(3E)-tetradecenoyl-CoA (CHEBI:88083) is conjugate acid of (3E)-tetradecenoyl-CoA(4−) (CHEBI:87710)
Synonyms  Source
trans-3-tetradecenoyl-CoA(4−)SUBMITTER
trans-3-tetradecenoyl-coenzyme A(4−)ChEBI
(3E)-tetradecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(3E)-tetradecenoyl-CoAUniProt