Chemical Components in the PDB

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44S : Summary

Code

44S

One-letter code

X

Molecule name

2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose

Systematic names

ProgramVersionName
ACDLabs 12.01 2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
OpenEye OEToolkits 1.7.6 [(2R)-2-[(2R,3R,5R)-3,5-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] dihydrogen phosphate

Formula

C6 H13 O8 P

Formal charge

0

Molecular weight

244.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC(O)C1OC(O)CC1O
SMILES CACTVS 3.385 O[CH]1C[CH](O)[CH](O1)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1C(C(OC1O)C(COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 O[C@H]1C[C@@H](O)[C@@H](O1)[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1

IUPAC InChI key

YKPKUODDXPUHGL-KVTDHHQDSA-N
44S

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2015-02-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned