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CHEBI:61994 - sulfoacetyl-CoA(5−)

ChEBI IDCHEBI:61994
ChEBI Namesulfoacetyl-CoA(5−)
Stars
ASCII Namesulfoacetyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and sulfonate OH groups of sulfoacetyl-CoA; major species at pH 7.3.
Last Modified17 May 2011
SubmitterSteve
DownloadsMolfile
FormulaC23H33N7O20P3S2
Net Charge-5
Average Mass884.602
Monoisotopic Mass884.04621
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CS(=O)(=O)[O-]
InChIInChI=1S/C23H38N7O20P3S2/c1-23(2,18(34)21(35)26-4-3-13(31)25-5-6-54-14(32)8-55(43,44)45)9-47-53(41,42)50-52(39,40)46-7-12-17(49-51(36,37)38)16(33)22(48-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,33-34H,3-9H2,1-2H3,(H,25,31)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)(H,43,44,45)/p-5/t12-,16-,17-,18+,22-/m1/s1
InChIKeyLFBBBBRKKCUFRH-GRFIIANRSA-I
ChEBI Ontology
Outgoing Relation(s)
sulfoacetyl-CoA(5−) (CHEBI:61994) is a acyl-CoA oxoanion (CHEBI:58946)
sulfoacetyl-CoA(5−) (CHEBI:61994) is conjugate base of sulfoacetyl-CoA (CHEBI:61992)
Incoming Relation(s)
sulfoacetyl-CoA (CHEBI:61992) is conjugate acid of sulfoacetyl-CoA(5−) (CHEBI:61994)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(sulfonatoacetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms  Source
sulfoacetyl-CoAChEBI
sulfoacetyl-CoA pentaanionChEBI
sulfoacetyl-CoA(5−)ChEBI
sulfoacetyl-coenzyme-A pentaanionChEBI
sulfoacetyl-coenzyme-AChEBI
UniProt Name  Source
sulfoacetyl-CoAUniProt
Citations