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:48062 -
trans
-2-oxohept-3-enedioic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
trans
-2-oxohept-3-enedioic acid
ChEBI ID
CHEBI:48062
ChEBI ASCII Name
trans-2-oxohept-3-enedioic acid
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
C7H8O5
Net Charge
0
Average Mass
172.13542
Monoisotopic Mass
172.03717
InChI
InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/b3-1+
InChIKey
HYVSZVZMTYIHKF-HNQUOIGGSA-N
SMILES
OC(=O)CC\C=C\C(=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
trans
-2-oxohept-3-enedioic acid (
CHEBI:48062
)
is a
2-oxohept-3-enedioic acid (
CHEBI:48061
)
IUPAC Name
(3
E
)-2-oxohept-3-enedioic acid
Registry Number
Type
Source
7368374
Beilstein Registry Number
Beilstein
Last Modified
19 December 2007