Chemical Components in the PDB

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ALA : Summary

Code

ALA

One-letter code

A

Molecule name

ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-alanine
OpenEye OEToolkits 1.5.0 (2S)-2-aminopropanoic acid

Formula

C3 H7 N O2

Formal charge

0

Molecular weight

89.093 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

IUPAC InChI key

QNAYBMKLOCPYGJ-REOHCLBHSA-N

Is part of

UML , MHI , R4B , R4C , RX4 , UB2 , UBY , X93 , X94 , ZRA , ZYA , 01S , 04C , 0D3 , 0EF , 0EG , 0P1 , 0P2 , 0PC , 0PK , 0Q4 , 0QN , 0Z0 , 0Z2 , 0ZO , 0ZW , 0ZX , 0ZY , 1KR , 2Z5 , 38N , 3AI , 3TL , 5FE , 5FP , HH0 , INN , K7J , PSI , X92
ALA

wwPDB Information

Atom count

13 (6 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned