Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

V4W : Summary

Code

V4W

One-letter code

X

Molecule name

4-deoxy-L-erythro-hex-5-ulosuronic acid

Synonyms

(4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoic acid
4-deoxy-L-erythro-5-hexoseulose uronic acid
440352

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid

Formula

C6 H8 O6

Formal charge

0

Molecular weight

176.124 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH](CC(=O)C(O)=O)[CH](O)C=O
SMILES OpenEye OEToolkits 2.0.7 C(C(C(C=O)O)O)C(=O)C(=O)O
Canonical SMILES CACTVS 3.385 O[C@@H](CC(=O)C(O)=O)[C@H](O)C=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O

IUPAC InChI

InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1

IUPAC InChI key

IMUGYKFHMJLTOU-WVZVXSGGSA-N
V4W

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-13

Last modified at

2021-07-23

Status

Released

Obsoleted

Not Assigned