Chemical Components in the PDB

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5XU : Summary

Code

5XU

One-letter code

A

Molecule name

(2~{S})-2-azanylpropanal

Synonyms

Ala-aldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (2~{S})-2-azanylpropanal

Formula

C3 H7 N O

Formal charge

0

Molecular weight

73.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](N)C=O
SMILES OpenEye OEToolkits 2.0.4 CC(C=O)N
Canonical SMILES CACTVS 3.385 C[C@H](N)C=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@@H](C=O)N

IUPAC InChI

InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1

IUPAC InChI key

QPMCUNAXNMSGTK-VKHMYHEASA-N
5XU

wwPDB Information

Atom count

12 (5 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2015-12-25

Last modified at

2024-04-24

Status

Released

Obsoleted

Not Assigned