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:112388 - 2,2-dimethyl-3,4a-dihydro-1H-phenothiazin-4-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2,2-dimethyl-3,4a-dihydro-1H-phenothiazin-4-one
ChEBI ID
CHEBI:112388
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
C14H15NOS
Net Charge
0
Average Mass
245.342
Monoisotopic Mass
245.08744
InChI
InChI=1S/C14H15NOS/c1-14(2)7-10-13(11(16)8-14)17-12-6-4-3-5-9(12)15-10/h3-6,13H,7-8H2,1-2H3
InChIKey
OADPHFIKCARYPP-UHFFFAOYSA-N
SMILES
CC1(CC2=NC3=CC=CC=C3SC2C(=O)C1)C
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
benzothiazine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,2-dimethyl-3,4a-dihydro-1H-phenothiazin-4-one (
CHEBI:112388
)
is a
benzothiazine (
CHEBI:46899
)
Manual Xref
Database
LSM-23800
LINCS
View more database links