Chemical Components in the PDB

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DOR : Summary

Code

DOR

One-letter code

X

Molecule name

(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID

Synonyms

DIHYDROOROTIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid
OpenEye OEToolkits 1.5.0 (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid

Formula

C5 H6 N2 O4

Formal charge

0

Molecular weight

158.112 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NC(=O)NC(=O)C1
SMILES CACTVS 3.341 OC(=O)[CH]1CC(=O)NC(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1C(NC(=O)NC1=O)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)[C@@H]1CC(=O)NC(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](NC(=O)NC1=O)C(=O)O

IUPAC InChI

InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1

IUPAC InChI key

UFIVEPVSAGBUSI-REOHCLBHSA-N
DOR

wwPDB Information

Atom count

17 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-01

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned