Chemical Components in the PDB

pdbe.org/chem
spacer

DAS : Summary

Code

DAS

One-letter code

D

Molecule name

D-ASPARTIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 D-aspartic acid
OpenEye OEToolkits 1.5.0 (2R)-2-aminobutanedioic acid

Formula

C4 H7 N O4

Formal charge

0

Molecular weight

133.103 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1

IUPAC InChI key

CKLJMWTZIZZHCS-UWTATZPHSA-N
DAS

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ASP

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned