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CHEBI:29140 - cis-dec-4-enoyl-CoA

Default Structure
ChEBI IDCHEBI:29140
ChEBI Namecis-dec-4-enoyl-CoA
Stars
ASCII Namecis-dec-4-enoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis-dec-4-enoic acid.
Last Modified5 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H52N7O17P3S
Net Charge0
Average Mass919.778
Monoisotopic Mass919.23532
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)/b9-8-/t20-,24-,25-,26+,30-/m1/s1
InChIKeyQTOYQSMKQWCWOX-SGUJYKCESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
cis-dec-4-enoyl-CoA (CHEBI:29140) has functional parent cis-4-decenoic acid (CHEBI:32380)
cis-dec-4-enoyl-CoA (CHEBI:29140) is a medium-chain fatty acyl-CoA (CHEBI:61907)
cis-dec-4-enoyl-CoA (CHEBI:29140) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
10:1(n-6)-CoAChEBI
4Z-decenoyl-CoAChEBI
4Z-decenoyl-coenzyme AChEBI
C10:1(n-6)-CoAChEBI
cis-4-decenoyl-CoAChEBI
cis-4-decenoyl-coenzyme AChEBI
Manual XrefsDatabases
HMDB0002145HMDB
Registry NumbersSources
CAS:69281-30-7ChemIDplus
Citations