Chemical Components in the PDB

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DHA : Summary

Code

DHA

One-letter code

S

Molecule name

2-AMINO-ACRYLIC ACID

Synonyms

2,3-DIDEHYDROALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-aminoprop-2-enoic acid
OpenEye OEToolkits 1.5.0 2-aminoprop-2-enoic acid

Formula

C3 H5 N O2

Formal charge

0

Molecular weight

87.077 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=C)\N
SMILES CACTVS 3.341 NC(=C)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C=C(C(=O)O)N
Canonical SMILES CACTVS 3.341 NC(=C)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C=C(C(=O)O)N

IUPAC InChI

InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)

IUPAC InChI key

UQBOJOOOTLPNST-UHFFFAOYSA-N
DHA

wwPDB Information

Atom count

11 (6 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

1999-11-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned