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:80974 - 2-Oxo-9-methylthiononanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-Oxo-9-methylthiononanoic acid
ChEBI ID
CHEBI:80974
Stars
This entity has been manually annotated by a third party.
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
C10H18O3S
Net Charge
0
Average Mass
218.31300
Monoisotopic Mass
218.09767
InChI
InChI=1S/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13)
InChIKey
MJGXIOUQXYXGLP-UHFFFAOYSA-N
SMILES
CSCCCCCCCC(=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-Oxo-9-methylthiononanoic acid (
CHEBI:80974
)
is a
oxo carboxylic acid (
CHEBI:25754
)
Synonym
Source
9-Methylthio-2-nonanoic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00007654
KNApSAcK
C17228
KEGG COMPOUND
View more database links