Chemical Components in the PDB

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BHD : Summary

Code

BHD

One-letter code

D

Molecule name

(3S)-3-hydroxy-L-aspartic acid

Synonyms

BETA-HYDROXYASPARTIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S)-3-hydroxy-L-aspartic acid
OpenEye OEToolkits 1.7.6 (2S,3S)-2-azanyl-3-oxidanyl-butanedioic acid

Formula

C4 H7 N O5

Formal charge

0

Molecular weight

149.102 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)C(C(=O)O)N
SMILES CACTVS 3.370 N[CH]([CH](O)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)O)(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H]([C@H](O)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [C@H]([C@@H](C(=O)O)O)(C(=O)O)N

IUPAC InChI

InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1

IUPAC InChI key

YYLQUHNPNCGKJQ-LWMBPPNESA-N
BHD

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ASP

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned