Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GSE : Summary

Code

GSE

One-letter code

X

Molecule name

L-ALPHA-GLYCEROPHOSPHORYLSERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-propanoic acid

Formula

C6 H14 N O8 P

Formal charge

0

Molecular weight

259.151 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)/t4-,5+/m1/s1

IUPAC InChI key

ZWZWYGMENQVNFU-UHNVWZDZSA-N
GSE

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned