Chemical Components in the PDB

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DAB : Summary

Code

DAB

One-letter code

A

Molecule name

2,4-DIAMINOBUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2,4-diaminobutanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2,4-diaminobutanoic acid

Formula

C4 H10 N2 O2

Formal charge

0

Molecular weight

118.134 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

IUPAC InChI key

OGNSCSPNOLGXSM-VKHMYHEASA-N
DAB

wwPDB Information

Atom count

18 (8 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