Chemical Components in the PDB

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MEV : Summary

Code

MEV

One-letter code

X

Molecule name

(R)-MEVALONATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3R)-3,5-dihydroxy-3-methylpentanoate
OpenEye OEToolkits 1.5.0 (3R)-3,5-dihydroxy-3-methyl-pentanoate

Formula

C6 H11 O4

Formal charge

-1

Molecular weight

147.149 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C([O-])CC(O)(C)CCO
SMILES CACTVS 3.341 C[C](O)(CCO)CC([O-])=O
SMILES OpenEye OEToolkits 1.5.0 CC(CCO)(CC(=O)[O-])O
Canonical SMILES CACTVS 3.341 C[C@@](O)(CCO)CC([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@](CCO)(CC(=O)[O-])O

IUPAC InChI

InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1

IUPAC InChI key

KJTLQQUUPVSXIM-ZCFIWIBFSA-M
MEV

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned