Chemical Components in the PDB

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X1P : Summary

Code

X1P

One-letter code

X

Molecule name

1-O-phosphono-alpha-D-xylopyranose

Synonyms

1-O-phosphono-alpha-D-xylose
1-O-phosphono-D-xylose
1-O-phosphono-xylose

Systematic names

ProgramVersionName
ACDLabs 10.04 1-O-phosphono-alpha-D-xylopyranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate

Formula

C5 H11 O8 P

Formal charge

0

Molecular weight

230.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC1OCC(O)C(O)C1O)(O)O
SMILES CACTVS 3.341 O[CH]1CO[CH](O[P](O)(O)=O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(C(O1)OP(=O)(O)O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1CO[C@H](O[P](O)(O)=O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O

IUPAC InChI

InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1

IUPAC InChI key

ILXHFXFPPZGENN-KKQCNMDGSA-N
X1P

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

XYS

Defined at

2006-06-05

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned