Chemical Components in the PDB

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AMH : Summary

Code

AMH

One-letter code

X

Molecule name

TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 trans-4-(aminomethyl)cyclohexanecarboxylic acid
OpenEye OEToolkits 1.5.0 4-(aminomethyl)cyclohexane-1-carboxylic acid

Formula

C8 H15 N O2

Formal charge

0

Molecular weight

157.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1CCC(CN)CC1
SMILES CACTVS 3.341 NC[CH]1CC[CH](CC1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1CC(CCC1CN)C(=O)O
Canonical SMILES CACTVS 3.341 NC[C@@H]1CC[C@H](CC1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CC(CCC1CN)C(=O)O

IUPAC InChI

InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-

IUPAC InChI key

GYDJEQRTZSCIOI-LJGSYFOKSA-N
AMH

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned