Chemical Components in the PDB

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EOW : Summary

Code

EOW

One-letter code

X

Molecule name

(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Formula

C11 H14 N O5 P

Formal charge

0

Molecular weight

271.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.6 Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O
Canonical SMILES CACTVS 3.385 Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O

IUPAC InChI

InChI=1S/C11H14NO5P/c1-3-4-5-10-11(13)8(2)9(6-12-10)7-17-18(14,15)16/h1,6,13H,4-5,7H2,2H3,(H2,14,15,16)

IUPAC InChI key

HYSIPFHNUDKCJU-UHFFFAOYSA-N
EOW

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-05

Last modified at

2018-05-25

Status

Released

Obsoleted

Not Assigned