CoA-glutathione

Properties MNX_ID MNXM2222 formula C31H46N10O22P3S2 charge -5 mass 1067.804423 reference chebi:60023

InChIKey	JYKWMJBUIXNJOG-QEWSFFBISA-I
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
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

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	2
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources

Identifier	Description
metacycM:CPD-322	CoA-glutathione mixed disulfide CoA-glutathione coenzyme A-glutathione mixed disulfide
chebi:60023	CoA-glutathione CoA-glutathione pentaanion CoA-glutathione(5-)
chebi:17586	CoA-glutathione Coassg Coenzyme A-glutathione mixed disulfide Glutathione-coa mixed disulfide
seedM:cpd00682	CoA-glutathione CoA-glutathione mixed disulfide Coenzyme A-glutathione mixed disulfide coenzyme A-glutathione mixed disulfide
sabiorkM:2187	CoA-glutathione
chebi:13297 chebi:20881 chebi:3773 keggC:M_C00920 seedM:M_cpd00682	secondary/obsolete/fantasy identifier
keggC:C00920	CoA-glutathione Coenzyme A-glutathione mixed disulfide
MNXM92187	is deprecated and replaced by this entry