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CHEBI:53152 - palmitoleoyl-CoA

ChEBI IDCHEBI:53152
ChEBI Namepalmitoleoyl-CoA
Stars
DefinitionA long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of palmitoleic acid.
Last Modified2 February 2018
Submitterkieran
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILESCCCCCC/C=C\CCCCCCCC(=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/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyQBYOCCWNZAOZTL-MDMKAECGSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
palmitoleoyl-CoA (CHEBI:53152) has functional parent palmitoleic acid (CHEBI:28716)
palmitoleoyl-CoA (CHEBI:53152) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
palmitoleoyl-CoA (CHEBI:53152) is a hexadecenoyl-CoA (CHEBI:24549)
palmitoleoyl-CoA (CHEBI:53152) is conjugate acid of palmitoleoyl-CoA(4−) (CHEBI:61540)
Incoming Relation(s)
palmitoleoyl-CoA(4−) (CHEBI:61540) is conjugate base of palmitoleoyl-CoA (CHEBI:53152)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-hexadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
palmitoleyl-coenzyme AChEBI
cis-9-hexadecenoyl-coenzyme AChEBI
palmitoleyl-CoAChEBI
palmitoleoyl-coenzyme AChEBI
cis-9-hexadecenoyl-CoAChEBI
(Z)-9-hexadecenoyl-CoAChEBI
Manual XrefsDatabases
HMDB0006532HMDB
Citations