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:81603 - Phenanthrene-4,5-dicarboxylate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Phenanthrene-4,5-dicarboxylate
ChEBI ID
CHEBI:81603
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
C16H10O4
Net Charge
0
Average Mass
266.24820
Monoisotopic Mass
266.05791
InChI
InChI=1S/C16H10O4/c17-
15(18)
11-
5-
1-
3-
9-
7-
8-
10-
4-
2-
6-
12(16(19)
20)
14(10)
13(9)
11/h1-
8H,(H,17,18)
(H,19,20)
InChIKey
RAGXPRCIICFJIK-UHFFFAOYSA-N
SMILES
OC(=O)c1cccc2ccc3cccc(C(O)=O)c3c12
Roles Classification
Biological Role
(s):
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via
phenanthrenes
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Phenanthrene-4,5-dicarboxylate (
CHEBI:81603
)
is a
phenanthrenes (
CHEBI:25961
)
Manual Xref
Database
C18252
KEGG COMPOUND
View more database links
Registry Number
Type
Source
5462-82-8
CAS Registry Number
KEGG COMPOUND