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AL0 : Summary

Code

AL0

One-letter code

X

Molecule name

3-[HYDROXY(NITROSO)AMINO]-L-ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-[hydroxy(nitroso)amino]-L-alanine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(hydroxy-nitroso-amino)propanoic acid

Formula

C3 H7 N3 O4

Formal charge

0

Molecular weight

149.105 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1

IUPAC InChI key

MLFKVJCWGUZWNV-REOHCLBHSA-N
AL0

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-16

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned