Chemical Components in the PDB

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13P : Summary

Code

13P

One-letter code

X

Molecule name

1,3-DIHYDROXYACETONEPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-hydroxy-2-oxopropyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 (3-hydroxy-2-oxo-propyl) dihydrogen phosphate

Formula

C3 H7 O6 P

Formal charge

0

Molecular weight

170.058 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)

IUPAC InChI key

GNGACRATGGDKBX-UHFFFAOYSA-N
13P

wwPDB Information

Atom count

17 (10 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