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CHEBI:234369 - (4E)-decenoyl-CoA(4-)

ChEBI IDCHEBI:234369
ChEBI Name(4E)-decenoyl-CoA(4-)
Stars
DefinitionA monounsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4E)-decenoic acid; major species at pH 7.3.
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC31H48N7O17P3S
Net Charge-4
Average Mass915.746
Monoisotopic Mass915.20622
SMILESCCCCC/C=C/CCC(=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/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8+/t20-,24-,25-,26+,30-/m1/s1
InChIKeyQTOYQSMKQWCWOX-CCVVLBLYSA-J
ChEBI Ontology
Outgoing Relation(s)
(4E)-decenoyl-CoA(4-) (CHEBI:234369) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
(4E)-decenoyl-CoA(4-) (CHEBI:234369) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonyms  Source
trans-4-decenoyl-CoA(4-)SUBMITTER
Trans4Decenoyl Coenzyme ASUBMITTER