Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

AN8 : Summary

Code

AN8

One-letter code

A

Molecule name

(2S)-2-aminononanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-aminononanoic acid
OpenEye OEToolkits 1.7.2 (2S)-2-azanylnonanoic acid

Formula

C9 H19 N O2

Formal charge

0

Molecular weight

173.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CCCCCCC
SMILES CACTVS 3.370 CCCCCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 CCCCCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.370 CCCCCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 CCCCCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1

IUPAC InChI key

JVPFOKXICYJJSC-QMMMGPOBSA-N

Is part of

SDR
AN8

wwPDB Information

Atom count

31 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2011-07-15

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned