Chemical Components in the PDB

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0FL : Summary

Code

0FL

One-letter code

A

Molecule name

3-amino-N-formyl-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-amino-N-formyl-L-alanine
OpenEye OEToolkits 1.7.0 (2S)-3-azanyl-2-formamido-propanoic acid

Formula

C4 H8 N2 O3

Formal charge

0

Molecular weight

132.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CNC(C(=O)O)CN
SMILES CACTVS 3.370 NC[CH](NC=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C(C(=O)O)NC=O)N
Canonical SMILES CACTVS 3.370 NC[C@H](NC=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H](C(=O)O)NC=O)N

IUPAC InChI

InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1

IUPAC InChI key

BOEOBKSOOCDYCH-VKHMYHEASA-N
0FL

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2010-09-24

Last modified at

2011-07-13

Status

Released

Obsoleted

Not Assigned