CHEBI:60023 - CoA-glutathione(5−)

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ChEBI Name CoA-glutathione(5−)
ChEBI ID CHEBI:60023
ChEBI ASCII Name CoA-glutathione(5-)
Definition A pentaanionic form of coenzyme A-glutathione mixed disulfide; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H46N10O22P3S2
Net Charge -5
Average Mass 1067.80200
Monoisotopic Mass 1067.14698
InChI InChI=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)/p-5/t15-,16-,17+,22+,23+,24-,29+/m0/s1
InChIKey JYKWMJBUIXNJOG-QEWSFFBISA-I
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O
ChEBI Ontology
Outgoing CoA-glutathione(5−) (CHEBI:60023) is a organic disulfide (CHEBI:35489)
CoA-glutathione(5−) (CHEBI:60023) is a organophosphate oxoanion (CHEBI:58945)
CoA-glutathione(5−) (CHEBI:60023) is conjugate base of CoA-glutathione (CHEBI:17586)
Incoming CoA-glutathione (CHEBI:17586) is conjugate acid of CoA-glutathione(5−) (CHEBI:60023)
Synonyms Sources
CoA-glutathione UniProt
CoA-glutathione pentaanion ChEBI
Last Modified
11 August 2010