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CHEBI:57392 - propionyl-CoA(4−)

ChEBI IDCHEBI:57392
ChEBI Namepropionyl-CoA(4−)
Stars
ASCII Namepropionyl-CoA(4-)
DefinitionTetranion of propionyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified9 June 2021
DownloadsMolfile
FormulaC24H36N7O17P3S
Net Charge-4
Average Mass819.573
Monoisotopic Mass819.11232
SMILESCCC(=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/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1
InChIKeyQAQREVBBADEHPA-IEXPHMLFSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
propionyl-CoA(4−) (CHEBI:57392) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
propionyl-CoA(4−) (CHEBI:57392) has role human metabolite (CHEBI:77746)
propionyl-CoA(4−) (CHEBI:57392) is a acyl-CoA(4−) (CHEBI:58342)
propionyl-CoA(4−) (CHEBI:57392) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
propionyl-CoA(4−) (CHEBI:57392) is conjugate base of propionyl-CoA (CHEBI:15539)
Incoming Relation(s)
2-methyl-(2E)-pentenoyl-CoA(4−) (CHEBI:192253) has functional parent propionyl-CoA(4−) (CHEBI:57392)
3-substituted propionyl-CoA(4−) (CHEBI:65111) has functional parent propionyl-CoA(4−) (CHEBI:57392)
propionyl-CoA (CHEBI:15539) is conjugate acid of propionyl-CoA(4−) (CHEBI:57392)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
Synonyms  Source
propanoyl-CoA tetraanionChEBI
propanoyl-Coenzyme A(4−)ChEBI
UniProt Name  Source
propanoyl-CoAUniProt
Manual XrefsDatabases
PROPIONYL-COAMetaCyc