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CHEBI:17586 - CoA-glutathione

ChEBI IDCHEBI:17586
ChEBI NameCoA-glutathione
Stars
DefinitionAn organic disulfide arising from oxidative coupling of the thiol functions of coenzyme A and glutathione.
Secondary ChEBI IDsCHEBI:3773, CHEBI:13297, CHEBI:20881
Last Modified9 September 2015
DownloadsMolfile
FormulaC31H51N10O22P3S2
Net Charge0
Average Mass1072.853
Monoisotopic Mass1072.18337
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)NCCSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/t15-,16-,17+,22+,23+,24-,29+/m0/s1
InChIKeyJYKWMJBUIXNJOG-QEWSFFBISA-N
ChEBI Ontology
Outgoing Relation(s)
CoA-glutathione (CHEBI:17586) has functional parent coenzyme A (CHEBI:15346)
CoA-glutathione (CHEBI:17586) is a glutathione derivative (CHEBI:24337)
CoA-glutathione (CHEBI:17586) is a organic disulfide (CHEBI:35489)
CoA-glutathione (CHEBI:17586) is conjugate acid of CoA-glutathione(5−) (CHEBI:60023)
Incoming Relation(s)
CoA-glutathione(5−) (CHEBI:60023) is conjugate base of CoA-glutathione (CHEBI:17586)
Synonyms  Source
CoA-glutathioneKEGG COMPOUND
CoassgChemIDplus
Coenzyme A-glutathione mixed disulfideKEGG COMPOUND
Glutathione-coa mixed disulfideChemIDplus
Manual XrefsDatabases
C00920KEGG COMPOUND
Registry NumbersSources
Beilstein:4902335Beilstein
CAS:6477-52-7KEGG COMPOUND
CAS:6477-52-7ChemIDplus