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CHEBI:71433 - isopalmitoyl-CoA

ChEBI IDCHEBI:71433
ChEBI Nameisopalmitoyl-CoA
Stars
DefinitionA methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of isopalmitic acid
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC37H66N7O17P3S
Net Charge0
Average Mass1005.956
Monoisotopic Mass1005.34487
SMILESCC(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/C37H66N7O17P3S/c1-25(2)15-13-11-9-7-5-6-8-10-12-14-16-28(46)65-20-19-39-27(45)17-18-40-35(49)32(48)37(3,4)22-58-64(55,56)61-63(53,54)57-21-26-31(60-62(50,51)52)30(47)36(59-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,47-48H,5-22H2,1-4H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1
InChIKeyOUPDXZZMDVEBFS-BBECNAHFSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
isopalmitoyl-CoA (CHEBI:71433) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
isopalmitoyl-CoA (CHEBI:71433) is a long-chain fatty acyl-CoA (CHEBI:33184)
isopalmitoyl-CoA (CHEBI:71433) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
isopalmitoyl-CoA (CHEBI:71433) is a saturated fatty acyl-CoA (CHEBI:231546)
isopalmitoyl-CoA (CHEBI:71433) is conjugate acid of isopalmitoyl-CoA(4−) (CHEBI:71425)
Incoming Relation(s)
isopalmitoyl-CoA(4−) (CHEBI:71425) is conjugate base of isopalmitoyl-CoA (CHEBI:71433)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(14-methylpentadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
isopalmitoyl-coenzyme AChEBI
14-methylpentadecanoyl-CoAChEBI
isohexadecanoyl-coenzyme AChEBI
14-methylpentadecanoyl-coenzyme AChEBI
isohexadecanoyl-CoAChEBI
Citations