Chemical Components in the PDB

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ALV : Summary

Code

ALV

One-letter code

A

Molecule name

(2S)-2-aminopropane-1,1-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-aminopropane-1,1-diol
OpenEye OEToolkits 1.7.0 (2S)-2-azanylpropane-1,1-diol

Formula

C3 H9 N O2

Formal charge

0

Molecular weight

91.109 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(O)C(N)C
SMILES CACTVS 3.370 C[CH](N)C(O)O
SMILES OpenEye OEToolkits 1.7.0 CC(C(O)O)N
Canonical SMILES CACTVS 3.370 C[C@H](N)C(O)O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@@H](C(O)O)N

IUPAC InChI

InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1

IUPAC InChI key

QEKPBYCXURULNE-REOHCLBHSA-N
ALV

wwPDB Information

Atom count

15 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

Yes

Standard parent

ALA

Defined at

2010-10-07

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned