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CHEBI:74397 - heptadecanoyl-CoA

ChEBI IDCHEBI:74397
ChEBI Nameheptadecanoyl-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 heptadecanoic acid,
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC38H68N7O17P3S
Net Charge0
Average Mass1019.983
Monoisotopic Mass1019.36052
SMILESCCCCCCCCCCCCCCCCC(=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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1
InChIKeyDRABUZIHHACUPI-DUPKZGIXSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
heptadecanoyl-CoA (CHEBI:74397) has functional parent heptadecanoic acid (CHEBI:32365)
heptadecanoyl-CoA (CHEBI:74397) has role metabolite (CHEBI:25212)
heptadecanoyl-CoA (CHEBI:74397) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
heptadecanoyl-CoA (CHEBI:74397) is a long-chain fatty acyl-CoA (CHEBI:33184)
heptadecanoyl-CoA (CHEBI:74397) is a saturated fatty acyl-CoA (CHEBI:231546)
heptadecanoyl-CoA (CHEBI:74397) is conjugate acid of heptadecanoyl-CoA(4−) (CHEBI:74307)
Incoming Relation(s)
heptadecanoyl-CoA(4−) (CHEBI:74307) is conjugate base of heptadecanoyl-CoA (CHEBI:74397)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonym  Source
heptadecanoyl-coenzyme AChEBI
Manual XrefsDatabases
HMDB0006497HMDB
CPD-14723MetaCyc
Registry NumbersSources
CAS:3546-17-6ChemIDplus