Chemical Components in the PDB

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SGX : Summary

Code

SGX

One-letter code

X

Molecule name

O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-[(S)-amino(methoxy)phosphoryl]-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(amino-methoxy-phosphoryl)oxy-propanoic acid

Formula

C4 H11 N2 O5 P

Formal charge

0

Molecular weight

198.114 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC)(OCC(N)C(=O)O)N
SMILES CACTVS 3.341 CO[P](N)(=O)OC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 COP(=O)(N)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CO[P@](N)(=O)OC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 COP(=O)(N)OC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1

IUPAC InChI key

SQHZWLBEEDRWJP-CMEQDNRLSA-N
SGX

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-02-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned