CHEBI:201468 - Azamulin

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 Azamulin
ChEBI ID CHEBI:201468
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38N4O4S
Net Charge 0
Average Mass 478.650
Monoisotopic Mass 478.26138
InChI InChI=1S/C24H38N4O4S/c1-6-22(4)11-16(32-17(30)12-33-21-26-20(25)27-28-21)23(5)13(2)7-9-24(14(3)19(22)31)10-8-15(29)18(23)24/h13-14,16,18-19,31H,6-12H2,1-5H3,(H3,25,26,27,28)
InChIKey FMHQJXGMLMSMLC-UHFFFAOYSA-N
SMILES S(C1=NNC(=N1)N)CC(=O)OC2C3(C(CCC4(C3C(=O)CC4)C(C)C(C(C2)(CC)C)O)C)C
ChEBI Ontology
Outgoing Azamulin (CHEBI:201468) is a carbotricyclic compound (CHEBI:38032)
Azamulin (CHEBI:201468) is a carboxylic ester (CHEBI:33308)
Azamulin (CHEBI:201468) is a cyclic ketone (CHEBI:3992)
IUPAC Name
[(1S,2R,3S,4R,6R,7R,8R,14R)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulanyl]acetate
Manual Xrefs Databases
17231671 ChemSpider
MWY PDBeChem
View more database links