Chemical Components in the PDB

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DMV : Summary

Code

DMV

One-letter code

X

Molecule name

2,3-DIHYDROXY-VALERIANIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 4,5-dideoxy-3-C-methyl-D-erythro-pentonic acid
OpenEye OEToolkits 1.5.0 (2R,3R)-2,3-dihydroxy-3-methyl-pentanoic acid

Formula

C6 H12 O4

Formal charge

0

Molecular weight

148.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(O)C(O)(C)CC
SMILES CACTVS 3.341 CC[C](C)(O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCC(C)(C(C(=O)O)O)O
Canonical SMILES CACTVS 3.341 CC[C@@](C)(O)[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[C@](C)([C@H](C(=O)O)O)O

IUPAC InChI

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

IUPAC InChI key

PDGXJDXVGMHUIR-UJURSFKZSA-N
DMV

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned