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CHEBI:61992 - sulfoacetyl-CoA

ChEBI IDCHEBI:61992
ChEBI Namesulfoacetyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of Co-A with the carboxylic acid group of sulfoacetic acid.
Last Modified28 April 2011
SubmitterSteve
DownloadsMolfile
FormulaC23H38N7O20P3S2
Net Charge0
Average Mass889.642
Monoisotopic Mass889.08259
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)/t12-,16-,17-,18+,22-/m1/s1
InChIKeyLFBBBBRKKCUFRH-GRFIIANRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
sulfoacetyl-CoA (CHEBI:61992) has functional parent coenzyme A (CHEBI:15346)
sulfoacetyl-CoA (CHEBI:61992) has functional parent sulfoacetic acid (CHEBI:50519)
sulfoacetyl-CoA (CHEBI:61992) is a acyl-CoA (CHEBI:17984)
sulfoacetyl-CoA (CHEBI:61992) is conjugate acid of sulfoacetyl-CoA(5−) (CHEBI:61994)
Incoming Relation(s)
sulfoacetyl-CoA(5−) (CHEBI:61994) is conjugate base of sulfoacetyl-CoA (CHEBI:61992)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(sulfoacetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonym  Source
sulfoacetyl-coenzyme-AMetaCyc
Manual XrefsDatabases
CPD-12645MetaCyc
Citations