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CHEBI:84992 - 3-methylpalmitoyl-CoA

ChEBI IDCHEBI:84992
ChEBI Name3-methylpalmitoyl-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 3-methylpalmitic acid,
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC38H68N7O17P3S
Net Charge0
Average Mass1019.983
Monoisotopic Mass1019.36052
SMILESCCCCCCCCCCCCCC(C)CC(=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/C38H68N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(2)21-29(47)66-20-19-40-28(46)17-18-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t26?,27-,31-,32-,33+,37-/m1/s1
InChIKeyZLODFYCZPXYUFC-JKWRZQDASA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-methylpalmitoyl-CoA (CHEBI:84992) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-methylpalmitoyl-CoA (CHEBI:84992) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-methylpalmitoyl-CoA (CHEBI:84992) is conjugate acid of 3-methylpalmitoyl-CoA(4−) (CHEBI:83969)
Incoming Relation(s)
3-methylpalmitoyl-CoA(4−) (CHEBI:83969) is conjugate base of 3-methylpalmitoyl-CoA (CHEBI:84992)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-methylhexadecanoyl-coenzyme AChEBI
3-methylpalmitoyl-coenzyme AChEBI
3-methylhexadecanoyl-CoAChEBI
Citations