CHEBI:80084 - Antibiotic TA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Antibiotic TA
ChEBI ID CHEBI:80084
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H61NO8
Net Charge 0
Average Mass 623.86070
Monoisotopic Mass 623.43972
InChI InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10+,28-16-
InChIKey VQWNGCSUNKJFLW-ACPVBGRSSA-N
SMILES CCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)\C=C\C=C(COC)\CCC(O)C(O)CC(O)CNC1=O
ChEBI Ontology
Outgoing Antibiotic TA (CHEBI:80084) is a lactam (CHEBI:24995)
Antibiotic TA (CHEBI:80084) is a macrolide (CHEBI:25106)
Manual Xrefs Databases
C00018471 KNApSAcK
C15756 KEGG COMPOUND
View more database links
Registry Number Type Source
60616-99-1 CAS Registry Number KEGG COMPOUND