Chemical Components in the PDB

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G2H : Summary

Code

G2H

One-letter code

X

Molecule name

2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE

Synonyms

GLYCEROL-2-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 1,3-dihydroxypropan-2-yl dihydrogen phosphate

Formula

C3 H9 O6 P

Formal charge

0

Molecular weight

172.074 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OC(CO)CO
SMILES CACTVS 3.341 OCC(CO)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(CO)OP(=O)(O)O)O
Canonical SMILES CACTVS 3.341 OCC(CO)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(CO)OP(=O)(O)O)O

IUPAC InChI

InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

IUPAC InChI key

DHCLVCXQIBBOPH-UHFFFAOYSA-N
G2H

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-08-19

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned