Chemical Components in the PDB

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129 : Summary

Code

129

One-letter code

X

Molecule name

[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 {2-[formyl(hydroxy)amino]ethyl}phosphonic acid
OpenEye OEToolkits 1.5.0 2-(hydroxy-methanoyl-amino)ethylphosphonic acid

Formula

C3 H8 N O5 P

Formal charge

0

Molecular weight

169.073 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)CCN(O)C=O
SMILES CACTVS 3.341 ON(CC[P](O)(O)=O)C=O
SMILES OpenEye OEToolkits 1.5.0 C(CP(=O)(O)O)N(C=O)O
Canonical SMILES CACTVS 3.341 ON(CC[P](O)(O)=O)C=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CP(=O)(O)O)N(C=O)O

IUPAC InChI

InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)

IUPAC InChI key

NBAIGNUEKZLOMI-UHFFFAOYSA-N
129

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-04-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned