Chemical Components in the PDB

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6M1 : Summary

Code

6M1

One-letter code

X

Molecule name

2-amino-6-methylbenzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-amino-6-methylbenzoic acid
OpenEye OEToolkits 1.7.6 2-azanyl-6-methyl-benzoic acid

Formula

C8 H9 N O2

Formal charge

0

Molecular weight

151.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1c(cccc1N)C
SMILES CACTVS 3.385 Cc1cccc(N)c1C(O)=O
SMILES OpenEye OEToolkits 1.7.6 Cc1cccc(c1C(=O)O)N
Canonical SMILES CACTVS 3.385 Cc1cccc(N)c1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cccc(c1C(=O)O)N

IUPAC InChI

InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

IUPAC InChI key

XHYVBIXKORFHFM-UHFFFAOYSA-N
6M1

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-11-15

Last modified at

2014-04-18

Status

Released

Obsoleted

Not Assigned