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:78251 - 5-methyl-1-naphthoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5-methyl-1-naphthoate
ChEBI ID
CHEBI:78251
Definition
A member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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
C12H9O2
Net Charge
-1
Average Mass
185.19920
Monoisotopic Mass
185.06080
InChI
InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)/p-1
InChIKey
VLEZTIKHFUAVRK-UHFFFAOYSA-M
SMILES
Cc1cccc2c(cccc12)C([O-])=O
Metabolite of Species
Details
Streptomyces griseofuscus
(NCBI:txid146922)
See:
PubMed
Streptomyces sahachiroi
(NCBI:txid285525)
See:
PubMed
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-methyl-1-naphthoate (
CHEBI:78251
)
has role
bacterial metabolite (
CHEBI:76969
)
5-methyl-1-naphthoate (
CHEBI:78251
)
is a
naphthoate (
CHEBI:25482
)
5-methyl-1-naphthoate (
CHEBI:78251
)
is conjugate base of
5-methyl-1-naphthoic acid (
CHEBI:79082
)
Incoming
5-methyl-1-naphthoic acid (
CHEBI:79082
)
is conjugate acid of
5-methyl-1-naphthoate (
CHEBI:78251
)
IUPAC Name
5-methyl-1-naphthoate
Synonyms
Sources
5-methyl-1-naphthoate
UniProt
5-methylnaphthalene-1-carboxylate
ChEBI
Manual Xref
Database
CPD-16514
MetaCyc
View more database links
Citation
Type
Source
20485749
PubMed citation
SUBMITTER
Last Modified
11 November 2014