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Glutamyl-Threonine

PropertiesImage
MNX_IDMNXM744720 Image of MNXM744720
referencebiggM:gluthr
formulaC9H15N2O6
global charge-1
mol weight247.227
InChIKeyJSIQVRIXMINMTA-XAHCXIQSSA-M
InChIInChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1/t4-,5-,7+/m1/s1
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](N)CCC(=O)[O-])C(=O)O
MNX internals
InChI (mnx)InChI=1/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/t4-,5-,7+/m1/s1 Image of MNXM744720
SMILES (mnx)[CH3:1][C@H:4]([C@@H:7]([C:9](=[O:16])[OH:17])[N:11]=[C:8]([C@@H:5]([CH2:2][CH2:3][C:6](=[O:13])[OH:14])[NH2:10])[OH:15])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gluthr
biggM:gluthr
vmhM:gluthr
vmhmetabolite:gluthr
JSIQVRIXMINMTA-XAHCXIQSSA-M
Glutamyl-Threonine

biggM:M_gluthr
vmhM:M_gluthr
secondary/obsolete/fantasy identifier