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CHEBI:57376 - formyl-CoA(4−)

ChEBI IDCHEBI:57376
ChEBI Nameformyl-CoA(4−)
Stars
ASCII Nameformyl-CoA(4-)
DefinitionTetraanion of formyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified7 July 2014
DownloadsMolfile
FormulaC22H32N7O17P3S
Net Charge-4
Average Mass791.519
Monoisotopic Mass791.08102
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)/p-4/t12-,15-,16-,17+,21-/m1/s1
InChIKeySXMOKYXNAPLNCW-GORZOVPNSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
formyl-CoA(4−) (CHEBI:57376) has role human metabolite (CHEBI:77746)
formyl-CoA(4−) (CHEBI:57376) is a acyl-CoA(4−) (CHEBI:58342)
formyl-CoA(4−) (CHEBI:57376) is conjugate base of formyl-CoA (CHEBI:15522)
Incoming Relation(s)
formyl-CoA (CHEBI:15522) is conjugate acid of formyl-CoA(4−) (CHEBI:57376)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
UniProt Name  Source
formyl-CoAUniProt