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CHEBI:86143 - (14Z)-hexadecenoyl-CoA

ChEBI IDCHEBI:86143
ChEBI Name(14Z)-hexadecenoyl-CoA
Stars
ASCII Name(14Z)-hexadecenoyl-CoA
DefinitionA hexadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (14Z)-hexadecenoic acid.
Last Modified2 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILESC/C=C\CCCCCCCCCCCCC(=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/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h4-5,24-26,30-32,36,47-48H,6-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b5-4-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyHIHIIKWURVKNRP-CTCHSOFBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(14Z)-hexadecenoyl-CoA (CHEBI:86143) is a hexadecenoyl-CoA (CHEBI:24549)
(14Z)-hexadecenoyl-CoA (CHEBI:86143) is conjugate acid of (14Z)-hexadecenoyl-CoA(4−) (CHEBI:85926)
Incoming Relation(s)
(14Z)-hexadecenoyl-CoA(4−) (CHEBI:85926) is conjugate base of (14Z)-hexadecenoyl-CoA (CHEBI:86143)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(14Z)-hexadec-14-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(14Z)-hexadecenoyl-coenzyme AChEBI
(Z)-hexadec-14-enoyl-coenzyme AChEBI
(Z)-hexadec-14-enoyl-CoAChEBI
Manual XrefsDatabases
CPD-17468MetaCyc