CHEBI:74397 - heptadecanoyl-CoA

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ChEBI Name heptadecanoyl-CoA
ChEBI ID CHEBI:74397
Definition A 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,
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H68N7O17P3S
Net Charge 0
Average Mass 1019.97000
Monoisotopic Mass 1019.36053
InChI InChI=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
InChIKey DRABUZIHHACUPI-DUPKZGIXSA-N
SMILES CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 conjugate acid of heptadecanoyl-CoA(4−) (CHEBI:74307)
Incoming 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 A ChEBI
Manual Xrefs Databases
CPD-14723 MetaCyc
HMDB0006497 HMDB
View more database links
Registry Number Type Source
3546-17-6 CAS Registry Number ChemIDplus
Last Modified
31 March 2015