Chemical Components in the PDB

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AHB : Summary

Code

AHB

One-letter code

N

Molecule name

BETA-HYDROXYASPARAGINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S)-3-hydroxy-L-asparagine
OpenEye OEToolkits 1.5.0 (2S,3S)-2,4-diamino-3-hydroxy-4-oxo-butanoic acid

Formula

C4 H8 N2 O4

Formal charge

0

Molecular weight

148.117 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1

IUPAC InChI key

VQTLPSCRBFYDNX-LWMBPPNESA-N
AHB

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ASN

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned