Chemical Components in the PDB

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DNP : Summary

Code

DNP

One-letter code

A

Molecule name

3-AMINO-ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-ammonio-L-alanine
OpenEye OEToolkits 1.5.0 [(2S)-2-amino-3-hydroxy-3-oxo-propyl]azanium

Formula

C3 H9 N2 O2

Formal charge

1

Molecular weight

105.116 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C[NH3+]
SMILES CACTVS 3.341 N[CH](C[NH3+])C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)[NH3+]
Canonical SMILES CACTVS 3.341 N[C@@H](C[NH3+])C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)[NH3+]

IUPAC InChI

InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+1/t2-/m0/s1

IUPAC InChI key

PECYZEOJVXMISF-REOHCLBHSA-O
DNP

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned