Chemical Components in the PDB

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AS2 : Summary

Code

AS2

One-letter code

D

Molecule name

(2R)-2-AMINO-4-OXOBUTANOIC ACID

Synonyms

ASPARTATE SEMIALDEHYDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-amino-4-oxobutanoic acid
OpenEye OEToolkits 1.5.0 (2R)-2-amino-4-oxo-butanoic acid

Formula

C4 H7 N O3

Formal charge

0

Molecular weight

117.103 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1

IUPAC InChI key

HOSWPDPVFBCLSY-GSVOUGTGSA-N
AS2

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ASP

Defined at

2003-07-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned