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CHEBI:80084 - Antibiotic TA

ChEBI IDCHEBI:80084
ChEBI NameAntibiotic TA
Stars
DownloadsMolfile
FormulaC35H61NO8
Net Charge0
Average Mass623.872
Monoisotopic Mass623.43972
SMILESCCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)/C=C/C=C(\COC)CCC(O)C(O)CC(O)CNC1=O
InChIInChI=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-
InChIKeyVQWNGCSUNKJFLW-ACPVBGRSSA-N
ChEBI Ontology
Outgoing Relation(s)
Antibiotic TA (CHEBI:80084) is a lactam (CHEBI:24995)
Antibiotic TA (CHEBI:80084) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C00018471KNApSAcK
C15756KEGG COMPOUND
Registry NumbersSources
CAS:60616-99-1KEGG COMPOUND