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CHEBI:15522 - formyl-CoA

ChEBI IDCHEBI:15522
ChEBI Nameformyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of formic acid.
Secondary ChEBI IDsCHEBI:5150, CHEBI:14282, CHEBI:24092, CHEBI:49609
Last Modified25 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H36N7O17P3S
Net Charge0
Average Mass795.551
Monoisotopic Mass795.11012
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeySXMOKYXNAPLNCW-GORZOVPNSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Formyl-CoAKEGG COMPOUND
formyl-coenzyme AChEBI
Manual XrefsDatabases
C00798KEGG COMPOUND
FYNPDBeChem
HMDB0003419HMDB
Registry NumbersSources
Reaxys:21305801Reaxys
Citations