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:80643 - 2-Propylsuccinic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-Propylsuccinic acid
ChEBI ID
CHEBI:80643
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
C7H12O4
Net Charge
0
Average Mass
160.16780
Monoisotopic Mass
160.07356
InChI
InChI=1S/C7H12O4/c1-2-3-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
QLTZBYGZXPKHLF-UHFFFAOYSA-N
SMILES
CCCC(CC(O)=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-Propylsuccinic acid (
CHEBI:80643
)
is a
dicarboxylic acid (
CHEBI:35692
)
Synonym
Source
2-PSA
KEGG COMPOUND
Manual Xref
Database
C16657
KEGG COMPOUND
View more database links