CHEBI:27770 - nonanoyl-CoA

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ChEBI Name nonanoyl-CoA
ChEBI ID CHEBI:27770
Definition A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of nonanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7617, CHEBI:25581
Supplier Information
Download Molfile XML SDF
Formula C30H52N7O17P3S
Net Charge 0
Average Mass 907.75814
Monoisotopic Mass 907.23533
InChI InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1
InChIKey WLDUTYVSAGSKIV-FUEUKBNZSA-N
SMILES CCCCCCCCC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nonanoyl-CoA (CHEBI:27770) has functional parent coenzyme A (CHEBI:15346)
nonanoyl-CoA (CHEBI:27770) has functional parent nonanoic acid (CHEBI:29019)
nonanoyl-CoA (CHEBI:27770) is a medium-chain fatty acyl-CoA (CHEBI:61907)
nonanoyl-CoA (CHEBI:27770) is conjugate acid of nonanoyl-CoA(4−) (CHEBI:76291)
Incoming nonanoyl-CoA(4−) (CHEBI:76291) is conjugate base of nonanoyl-CoA (CHEBI:27770)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
CoA S-nonaoate ChEBI
Coenzyme A, S-nonanoate ChEBI
Nonanoyl-CoA KEGG COMPOUND
Nonanoyl-coa ChemIDplus
Nonanoyl-coenzyme A ChemIDplus
Manual Xrefs Databases
C01942 KEGG COMPOUND
HMDB0013028 HMDB
View more database links
Registry Numbers Types Sources
17331-98-5 CAS Registry Number ChemIDplus
8033294 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
2901416 PubMed citation Europe PMC
7462191 PubMed citation Europe PMC
Last Modified
04 August 2014