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D-allo-isoleucine

PropertiesImage
MNX_IDMNXM17053 Image of MNXM17053
referencechebi:85306
formulaC6H13NO2
global charge0
mol weight131.175
InChIKeyAGPKZVBTJJNPAG-CRCLSJGQSA-N
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
SMILESCC[C@H](C)[C@@H]([NH3+])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1 Image of MNXM17053
SMILES (mnx)[CH3:1][CH2:3][C@H:4]([CH3:2])[C@H:5]([C:6](=[O:8])[OH:9])[NH2:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85306
chebi:85306
AGPKZVBTJJNPAG-CRCLSJGQSA-N 		D-allo-isoleucine
(2R,3S)-2-azaniumyl-3-methylpentanoate
D-alloisoleucine zwitterion

kegg.compound:C21092
keggC:C21092
AGPKZVBTJJNPAG-CRCLSJGQSA-N 		D-allo-Isoleucine

metacyc.compound:CPD-17659
metacycM:CPD-17659
seed.compound:cpd34393
seedM:cpd34393
AGPKZVBTJJNPAG-CRCLSJGQSA-N 		D-allo-isoleucine

CHEBI:20899
chebi:20899
AGPKZVBTJJNPAG-CRCLSJGQSA-N 		D-alloisoleucine
(2R,3S)-2-amino-3-methylpentanoic acid
allo-D-isoleucine

keggC:M_C21092
seedM:M_cpd34393 		secondary/obsolete/fantasy identifier