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CHEBI:60023 - CoA-glutathione(5−)

ChEBI IDCHEBI:60023
ChEBI NameCoA-glutathione(5−)
Stars
ASCII NameCoA-glutathione(5-)
DefinitionA pentaanionic form of coenzyme A-glutathione mixed disulfide; major species at pH 7.3.
Last Modified11 August 2010
SubmitterSteve
DownloadsMolfile
FormulaC31H46N10O22P3S2
Net Charge-5
Average Mass1067.813
Monoisotopic Mass1067.14698
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]([NH3+])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)/p-5/t15-,16-,17+,22+,23+,24-,29+/m0/s1
InChIKeyJYKWMJBUIXNJOG-QEWSFFBISA-I
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
CoA-glutathione (CHEBI:17586) is conjugate acid of CoA-glutathione(5−) (CHEBI:60023)
Synonym  Source
CoA-glutathione pentaanionChEBI
UniProt Name  Source
CoA-glutathioneUniProt