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CHEBI:85214 - 9-decenoyl-CoA

ChEBI IDCHEBI:85214
ChEBI Name9-decenoyl-CoA
Stars
DefinitionA monounsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 9-decenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC31H52N7O17P3S
Net Charge0
Average Mass919.778
Monoisotopic Mass919.23532
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)/t20-,24-,25-,26+,30-/m1/s1
InChIKeyBDHWPVPKCWWQPF-HSJNEKGZSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
9-decenoyl-CoA (CHEBI:85214) has functional parent dec-9-enoic acid (CHEBI:32381)
9-decenoyl-CoA (CHEBI:85214) is a medium-chain fatty acyl-CoA (CHEBI:61907)
9-decenoyl-CoA (CHEBI:85214) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
9-decenoyl-CoA (CHEBI:85214) is conjugate acid of 9-decenoyl-CoA(4−) (CHEBI:84214)
Incoming Relation(s)
9-decenoyl-CoA(4−) (CHEBI:84214) is conjugate base of 9-decenoyl-CoA (CHEBI:85214)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dec-9-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonym  Source
9-decenoyl-coenzyme AChEBI