CHEBI:15522 - formyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name formyl-CoA
ChEBI ID CHEBI:15522
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of formic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5150, CHEBI:49609, CHEBI:14282, CHEBI:24092
Supplier Information
Download Molfile XML SDF
Formula C22H36N7O17P3S
Net Charge 0
Average Mass 795.54550
Monoisotopic Mass 795.110
InChI InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1
InChIKey SXMOKYXNAPLNCW-GORZOVPNSA-N
SMILES [H]C(=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
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing formyl-CoA (CHEBI:15522) has functional parent formic acid (CHEBI:30751)
formyl-CoA (CHEBI:15522) has role Escherichia coli metabolite (CHEBI:76971)
formyl-CoA (CHEBI:15522) is a acyl-CoA (CHEBI:17984)
formyl-CoA (CHEBI:15522) is conjugate acid of formyl-CoA(4−) (CHEBI:57376)
Incoming formyl-CoA(4−) (CHEBI:57376) is conjugate base of formyl-CoA (CHEBI:15522)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
Formyl-CoA KEGG COMPOUND
formyl-coenzyme A ChEBI
Database Links Databases
C00798 KEGG COMPOUND
FYN PDBeChem
HMDB0003419 HMDB
View more database links
Registry Number Type Source
21305801 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10379198 PubMed citation Europe PMC
10709654 PubMed citation Europe PMC
11330072 PubMed citation Europe PMC
9166898 PubMed citation Europe PMC
Last Modified
25 January 2016