CHEBI:17586 - CoA-glutathione

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ChEBI Name CoA-glutathione
ChEBI ID CHEBI:17586
Definition An organic disulfide arising from oxidative coupling of the thiol functions of coenzyme A and glutathione.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20881, CHEBI:3773, CHEBI:13297
Supplier Information
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Formula C31H51N10O22P3S2
Net Charge 0
Average Mass 1072.84200
Monoisotopic Mass 1072.18337
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)/t15-,16-,17+,22+,23+,24-,29+/m0/s1
InChIKey JYKWMJBUIXNJOG-QEWSFFBISA-N
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](N)C(O)=O)C(=O)NCC(O)=O
ChEBI Ontology
Outgoing 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 CoA-glutathione(5−) (CHEBI:60023) is conjugate base of CoA-glutathione (CHEBI:17586)
Synonyms Sources
CoA-glutathione KEGG COMPOUND
Coassg ChemIDplus
Coenzyme A-glutathione mixed disulfide KEGG COMPOUND
Glutathione-coa mixed disulfide ChemIDplus
Manual Xref Database
C00920 KEGG COMPOUND
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Registry Numbers Types Sources
4902335 Beilstein Registry Number Beilstein
6477-52-7 CAS Registry Number KEGG COMPOUND
6477-52-7 CAS Registry Number ChemIDplus
Last Modified
09 September 2015