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glutathionyl-3-hydroxykynurenine glucoside

MNXM725426 is deprecated and here replaced by MNXM1372042
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372042 Image of MNXM1372042
referencechebi:195678
formulaC26H36N4O15S
global charge0
mol weight676.654
InChIKeyMUWBOANXAOJPLO-ROWCEFMGSA-N
InChIInChI=1S/C26H36N4O15S/c27-11(24(40)41)4-5-17(33)30-12(23(39)29-7-18(34)35)9-46-16(25(42)43)6-13(32)10-2-1-3-14(19(10)28)44-26-22(38)21(37)20(36)15(8-31)45-26/h1-3,11-12,15-16,20-22,26,31,36-38H,4-9,27-28H2,(H,29,39)(H,30,33)(H,34,35)(H,40,41)(H,42,43)/t11-,12-,15+,16-,20+,21-,22+,26+/m0/s1
SMILESNC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1C(=O)C[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C26H36N4O15S/c27-11(24(40)41)4-5-17(33)30-12(23(39)29-7-18(34)35)9-46-16(25(42)43)6-13(32)10-2-1-3-14(19(10)28)44-26-22(38)21(37)20(36)15(8-31)45-26/h1-3,11-12,15-16,20-22,26,31,36-38H,4-9,27-28H2,(H,29,39)(H,30,33)(H,34,35)(H,40,41)(H,42,43)/t11-,12-,15+,16-,20+,21-,22+,26+/m0/s1 Image of MNXM1372042
SMILES (mnx)[CH:1]1=[CH:2][C:10]([C:13]([CH2:6][C@@H:16]([C:25](=[O:42])[OH:43])[S:46][CH2:9][C@@H:12]([C:23](=[N:29][CH2:7][C:18](=[O:34])[OH:35])[OH:39])[N:30]=[C:17]([CH2:5][CH2:4][C@@H:11]([C:24](=[O:40])[OH:41])[NH2:27])[OH:33])=[O:32])=[C:19]([NH2:28])[C:14]([O:44][C@H:26]2[C@H:22]([OH:38])[C@@H:21]([OH:37])[C@H:20]([OH:36])[C@@H:15]([CH2:8][OH:31])[O:45]2)=[CH:3]1
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:195678
chebi:195678
MUWBOANXAOJPLO-ROWCEFMGSA-N 		glutathionyl-3-hydroxykynurenine glucoside
(2S)-2-amino-5-[[(2R)-3-[(1S)-3-[2-amino-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-carboxy-3-oxopropyl]sulanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
hmdb:HMDB0062471
MUWBOANXAOJPLO-ROWCEFMGSA-N 		Glutathionyl-3-hydroxykynurenine glucoside
(2S)-2-amino-4-{[(1R)-2-{[(1S)-3-(2-amino-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-carboxy-3-oxopropyl]sulfanyl}-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid
(2S)-2-amino-4-{[(1R)-2-{[(1S)-3-(2-amino-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-carboxy-3-oxopropyl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
GSH-3-OHKG

hmdb:HMDB62471 		secondary/obsolete/fantasy identifier