Chemical Components in the PDB

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BOM : Summary

Code

BOM

One-letter code

X

Molecule name

HEXADECA-10,12-DIEN-1-OL

Synonyms

BOMBYKOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (10E,12Z)-hexadeca-10,12-dien-1-ol
OpenEye OEToolkits 1.5.0 (10E,12Z)-hexadeca-10,12-dien-1-ol

Formula

C16 H30 O

Formal charge

0

Molecular weight

238.409 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCCCCCCCC\C=C\C=C/CCC
SMILES CACTVS 3.341 CCCC=CC=CCCCCCCCCCO
SMILES OpenEye OEToolkits 1.5.0 CCCC=CC=CCCCCCCCCCO
Canonical SMILES CACTVS 3.341 CCC\C=C/C=C/CCCCCCCCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCC\C=C/C=C/CCCCCCCCCO

IUPAC InChI

InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+

IUPAC InChI key

CIVIWCVVOFNUST-SCFJQAPRSA-N
BOM

wwPDB Information

Atom count

47 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-01-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned