MIC

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Summary

Name:ALPHA-METHYLISOCITRIC ACID
Formula:C7 H10 O7
Formal charge:0
Molecular weight:206.15 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid
OpenEye OEToolkits1.5.0(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)(C)C(C(=O)O)CC(=O)O
SMILES_CANONICALCACTVS3.341C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O
SMILESCACTVS3.341C[C](O)([CH](CC(O)=O)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O
SMILESOpenEye OEToolkits1.5.0CC(C(CC(=O)O)C(=O)O)(C(=O)O)O
InChIInChI1.03InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
InChIKeyInChI1.03HHKPKXCSHMJWCF-WVBDSBKLSA-N
167518
PDB entries from 2020-08-12