Chemical Components in the PDB

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OUT : Summary

Code

OUT

One-letter code

X

Molecule name

CARBAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 carbamic acid
OpenEye OEToolkits 1.5.0 carbamic acid

Formula

C H3 N O2

Formal charge

0

Molecular weight

61.04 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)N
SMILES CACTVS 3.341 NC(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)O
Canonical SMILES CACTVS 3.341 NC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)O

IUPAC InChI

InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)

IUPAC InChI key

KXDHJXZQYSOELW-UHFFFAOYSA-N
OUT

wwPDB Information

Atom count

7 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-02-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned