Search MNXref
 Feedback

5-S-glutathionyl-aminochrome reduced

PropertiesImage
MNX_IDMNXM151428 Image of MNXM151428
referencebiggM:CE5545
formulaC18H23N4O8S
global charge-1
mol weight455.469
InChIKeyOWLBFEJNNSEXED-KOLCDFICSA-M
InChIInChI=1S/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/p-1/t9-,11+/m1/s1
SMILES[NH3+][C@H](CCC([O-])=[NH+][C@@H](CSC1=C2CCNC2=CC(O)=C1O)C([O-])=[NH+]CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t9-,11+/m1/s1 Image of MNXM151428
SMILES (mnx)[CH2:1]([CH2:2][C:13](=[N:22][C@@H:11]([CH2:7][S:31][C:16]1=[C:8]2[CH2:3][CH2:4][NH:20][C:10]2=[CH:5][C:12]([OH:23])=[C:15]1[OH:27])[C:17](=[N:21][CH2:6][C:14](=[O:25])[OH:26])[OH:28])[OH:24])[C@H:9]([C:18](=[O:29])[OH:30])[NH2:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5545
biggM:CE5545
vmhM:CE5545
vmhmetabolite:CE5545
OWLBFEJNNSEXED-KOLCDFICSA-M 		5-S-glutathionyl-aminochrome reduced
hmdb:HMDB0060086
OWLBFEJNNSEXED-KOLCDFICSA-N 		5-S-Glutathionyl-aminochrome reduced
(2R)-2-amino-4-{[(1R)-1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
(2R)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

hmdb:HMDB60086
biggM:M_CE5545
vmhM:M_CE5545 		secondary/obsolete/fantasy identifier