Chemical Components in the PDB

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1CW : Summary

Code

1CW

One-letter code

X

Molecule name

3-amino-2-hydroxybenzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3-amino-2-hydroxybenzoic acid
OpenEye OEToolkits 1.7.6 3-azanyl-2-oxidanyl-benzoic acid

Formula

C7 H7 N O3

Formal charge

0

Molecular weight

153.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1cccc(N)c1O
SMILES CACTVS 3.370 Nc1cccc(C(O)=O)c1O
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)N)O)C(=O)O
Canonical SMILES CACTVS 3.370 Nc1cccc(C(O)=O)c1O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)N)O)C(=O)O

IUPAC InChI

InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)

IUPAC InChI key

IQGMRVWUTCYCST-UHFFFAOYSA-N
1CW

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-07

Last modified at

2013-12-06

Status

Released

Obsoleted

Not Assigned