CHEBI:201449 - Sarecycline hydrochloride

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ChEBI Name Sarecycline hydrochloride
ChEBI ID CHEBI:201449
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H29N3O8.ClH
Net Charge 0
Average Mass 523.970
Monoisotopic Mass 523.17214
InChI InChI=1S/C24H29N3O8.ClH/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33;/h5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33);1H
InChIKey JGPBDCKZLBSHOI-UHFFFAOYSA-N
SMILES Cl.O=C1C2=C(O)C3=C(O)C=CC(=C3CC2CC4C1(O)C(O)=C(C(=O)C4N(C)C)C(=O)N)CN(OC)C
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 )
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ChEBI Ontology
Outgoing Sarecycline hydrochloride (CHEBI:201449) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[[methoxy(methyl)amino]methyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
Manual Xrefs Databases
41756526 ChemSpider
D10667 KEGG DRUG
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