Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:87340 - 3,8-dimethyldeca-4,6-diyne-3,8-diol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3,8-dimethyldeca-4,6-diyne-3,8-diol
ChEBI ID
CHEBI:87340
Definition
An acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C12H18O2
Net Charge
0
Average Mass
194.27010
Monoisotopic Mass
194.13068
InChI
InChI=1S/C12H18O2/c1-5-11(3,13)9-7-8-10-12(4,14)6-2/h13-14H,5-6H2,1-4H3
InChIKey
GLWDRGVPXZBLDS-UHFFFAOYSA-N
SMILES
CCC(C)(O)C#CC#CC(C)(O)CC
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,8-dimethyldeca-4,6-diyne-3,8-diol (
CHEBI:87340
)
has role
metabolite (
CHEBI:25212
)
3,8-dimethyldeca-4,6-diyne-3,8-diol (
CHEBI:87340
)
is a
acetylenic compound (
CHEBI:73474
)
3,8-dimethyldeca-4,6-diyne-3,8-diol (
CHEBI:87340
)
is a
diol (
CHEBI:23824
)
IUPAC Name
3,8-dimethyldeca-4,6-diyne-3,8-diol
Registry Numbers
Types
Sources
1238087
Reaxys Registry Number
Reaxys
6626-33-1
CAS Registry Number
ChemIDplus
6626-33-1
CAS Registry Number
NIST Chemistry WebBook
Last Modified
02 September 2015