Search MNXref
 Feedback

Oxiglutathione

MNXM729383 is deprecated and here replaced by MNXM1371190
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371190 Image of MNXM1371190
referencechebi:167606
formulaC20H32N6O12S2
global charge0
mol weight612.64
InChIKeyYPZRWBKMTBYPTK-UHFFFAOYSA-N
InChIInChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)
SMILESNC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9?,10?,11?,12? Image of MNXM1371190
SMILES (mnx)[CH2:1]([CH2:3][C:13](=[N:25][CH:11]([CH2:7][S:39][S:40][CH2:8][CH:12]([C:18](=[N:24][CH2:6][C:16](=[O:31])[OH:32])[OH:34])[N:26]=[C:14]([CH2:4][CH2:2][CH:10]([C:20](=[O:37])[OH:38])[NH2:22])[OH:28])[C:17](=[N:23][CH2:5][C:15](=[O:29])[OH:30])[OH:33])[OH:27])[CH:9]([C:19](=[O:35])[OH:36])[NH2:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167606
chebi:167606
YPZRWBKMTBYPTK-UHFFFAOYSA-N 		Oxiglutathione
2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid