CHEBI:201602 - Anhydrochlortetracycline hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anhydrochlortetracycline hydrochloride
ChEBI ID CHEBI:201602
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H21ClN2O7.ClH
Net Charge 0
Average Mass 497.330
Monoisotopic Mass 496.08041
InChI InChI=1S/C22H21ClN2O7.ClH/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;/h4-5,9,16,26-27,30,32H,6H2,1-3H3,(H2,24,31);1H
InChIKey ISGAAFMBTIWTEU-UHFFFAOYSA-N
SMILES ClC=1C=2C(=C(O)C=3C(=O)C4(O)C(O)=C(C(=O)N)C(C(C4CC3C2C)N(C)C)=O)C(O)=CC1.Cl
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 hydrochloride (CHEBI:201602) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
Manual Xref Database
49697255 ChemSpider
View more database links