Chemical Components in the PDB

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PAN : Summary

Code

PAN

One-letter code

X

Molecule name

5-PHOSPHO-D-ARABINOHYDROXAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(hydroxyamino)-5-O-phosphono-D-arabinose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentyl] dihydrogen phosphate

Formula

C5 H12 N O9 P

Formal charge

0

Molecular weight

261.124 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
SMILES CACTVS 3.341 ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 ONC(=O)[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](C(=O)NO)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1

IUPAC InChI key

OHQFMJPEBPCIEQ-JJYYJPOSSA-N
PAN

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-01-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned