Chemical Components in the PDB

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GPE : Summary

Code

GPE

One-letter code

X

Molecule name

L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-aminoethyl (2R)-2,3-dihydroxypropyl hydrogen (S)-phosphate
OpenEye OEToolkits 1.5.0 2-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate

Formula

C5 H14 N O6 P

Formal charge

0

Molecular weight

215.142 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1

IUPAC InChI key

JZNWSCPGTDBMEW-RXMQYKEDSA-N
GPE

wwPDB Information

Atom count

27 (13 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

2011-06-04

Status

Released

Obsoleted

Not Assigned