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CHEBI:84214 - 9-decenoyl-CoA(4−)

ChEBI IDCHEBI:84214
ChEBI Name9-decenoyl-CoA(4−)
Stars
ASCII Name9-decenoyl-CoA(4-)
DefinitionAn unsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 9-decenoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
Submitternhn
DownloadsMolfile
FormulaC31H48N7O17P3S
Net Charge-4
Average Mass915.746
Monoisotopic Mass915.20622
SMILESC=CCCCCCCCC(=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/h4,18-20,24-26,30,41-42H,1,5-17H2,2-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKeyBDHWPVPKCWWQPF-HSJNEKGZSA-J
ChEBI Ontology
Outgoing Relation(s)
9-decenoyl-CoA(4−) (CHEBI:84214) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
9-decenoyl-CoA(4−) (CHEBI:84214) is a unsaturated fatty acyl-CoA(4−) (CHEBI:77632)
9-decenoyl-CoA(4−) (CHEBI:84214) is conjugate base of 9-decenoyl-CoA (CHEBI:85214)
Incoming Relation(s)
9-decenoyl-CoA (CHEBI:85214) is conjugate acid of 9-decenoyl-CoA(4−) (CHEBI:84214)
Synonym  Source
9-decenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
9-decenoyl-CoAUniProt
Citations