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CHEBI:235376 - trans-tridec-2-enoyl-CoA(4-)

ChEBI IDCHEBI:235376
ChEBI Nametrans-tridec-2-enoyl-CoA(4-)
Stars
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of trans-tridec-2-enoyl-CoA; major species at pH 7.3.
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC34H54N7O17P3S
Net Charge-4
Average Mass957.827
Monoisotopic Mass957.25317
SMILESCCCCCCCCCC/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/C34H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h13-14,21-23,27-29,33,44-45H,4-12,15-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/b14-13+/t23-,27-,28-,29+,33-/m1/s1
InChIKeyOJMHBULHHWIOMP-IEIJHTCOSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-tridec-2-enoyl-CoA(4-) (CHEBI:235376) is a 4,5-saturated-trans-2-enoyl-CoA(4−) (CHEBI:85100)
trans-tridec-2-enoyl-CoA(4-) (CHEBI:235376) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
Synonym  Source
(2E)-tridecenoyl-CoASUBMITTER