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CHEBI:57371 - butyryl-CoA(4−)

ChEBI IDCHEBI:57371
ChEBI Namebutyryl-CoA(4−)
Stars
ASCII Namebutyryl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of butyryl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Last Modified10 March 2014
DownloadsMolfile
FormulaC25H38N7O17P3S
Net Charge-4
Average Mass833.600
Monoisotopic Mass833.12797
SMILESCCCC(=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/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKeyCRFNGMNYKDXRTN-CITAKDKDSA-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)
butyryl-CoA(4−) (CHEBI:57371) has role human metabolite (CHEBI:77746)
butyryl-CoA(4−) (CHEBI:57371) is a acyl-CoA(4−) (CHEBI:58342)
butyryl-CoA(4−) (CHEBI:57371) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
butyryl-CoA(4−) (CHEBI:57371) is conjugate base of butyryl-CoA (CHEBI:15517)
Incoming Relation(s)
butyryl-CoA (CHEBI:15517) is conjugate acid of butyryl-CoA(4−) (CHEBI:57371)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonyms  Source
butanoyl-coenzyme A(4−)ChEBI
butyryl-coenzyme A(4−)ChEBI
butyryl-coenzyme A tetraanionChEBI
UniProt Name  Source
butanoyl-CoAUniProt