Chemical Components in the PDB

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A5P : Summary

Code

A5P

One-letter code

X

Molecule name

ARABINOSE-5-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-O-phosphono-D-arabinitol
OpenEye OEToolkits 1.5.0 [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate

Formula

C5 H13 O8 P

Formal charge

0

Molecular weight

232.126 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1

IUPAC InChI key

VJDOAZKNBQCAGE-WDCZJNDASA-N
A5P

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-10-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned