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:81648 - Anhydrochlortetracycline
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Anhydrochlortetracycline
ChEBI ID
CHEBI:81648
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
C22H21ClN2O7
Net Charge
0
Average Mass
460.86400
Monoisotopic Mass
460.10373
InChI
InChI=1S/C22H21ClN2O7/c1-
7-
8-
6-
9-
16(25(2)
3)
18(28)
15(21(24)
31)
20(30)
22(9,32)
19(29)
13(8)
17(27)
14-
11(26)
5-
4-
10(23)
12(7)
14/h4-
5,9,16,26-
28,32H,6H2,1-
3H3,(H2,24,31)
/t9-
,16-
,22-
/m0/s1
InChIKey
NICZYMKKWKYGHT-BAQLRCJTSA-N
SMILES
CN(C)[C@H]1[C@@H]2Cc3c(C)c4c(Cl)ccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
tetracyclines
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Anhydrochlortetracycline (
CHEBI:81648
)
is a
tetracyclines (
CHEBI:26895
)
Synonym
Source
Anhydro-7-chlorotetracycline
KEGG COMPOUND
Manual Xref
Database
C18297
KEGG COMPOUND
View more database links