DMV

2,3-DIHYDROXY-VALERIANIC ACID

Created:1999-09-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count2
Bond Count21
Aromatic Bond Count0
2D diagram of DMV

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Chemical Component Summary

Name2,3-DIHYDROXY-VALERIANIC ACID
Systematic Name (OpenEye OEToolkits)(2R,3R)-2,3-dihydroxy-3-methyl-pentanoic acid
FormulaC6 H12 O4
Molecular Weight148.157
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)C(O)(C)CC
SMILESCACTVS3.341CC[C](C)(O)[CH](O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CCC(C)(C(C(=O)O)O)O
Canonical SMILESCACTVS3.341 CC[C@@](C)(O)[C@@H](O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC[C@](C)([C@H](C(=O)O)O)O
InChIInChI1.03 InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
InChIKeyInChI1.03 PDGXJDXVGMHUIR-UJURSFKZSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03675 
Name2,3-Dihydroxy-Valerianic Acid
Groups experimental
Synonyms2,3-Dihydroxy-Valerianic Acid

Related Resource References

Resource NameReference
PubChem 448154
ChEBI CHEBI:27512