Chemical Components in the PDB

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O0L : Summary

Code

O0L

One-letter code

X

Molecule name

(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol
OpenEye OEToolkits 2.0.7 3-[4-(hydroxymethyl)phenyl]-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenol

Formula

C14 H12 N4 O2

Formal charge

0

Molecular weight

268.271 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1
SMILES CACTVS 3.385 OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3
SMILES OpenEye OEToolkits 2.0.7 c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO
Canonical SMILES CACTVS 3.385 OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO

IUPAC InChI

InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)

IUPAC InChI key

MHFBCDLPGNNTMV-UHFFFAOYSA-N
O0L

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-04-14

Last modified at

2023-03-03

Status

Released

Obsoleted

Not Assigned