CHEBI:35024 - Trichomycin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Trichomycin B
ChEBI ID CHEBI:35024
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C58H84N2O18
Net Charge 0
Average Mass 1097.292
Monoisotopic Mass 1096.572
InChI InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m1/s1
InChIKey LWTOHQGGAJCWFV-PLHGDVIKSA-N
SMILES CC(CCC(O)CC(=O)c1ccc(N)cc1)C1OC(=O)CC(=O)CCCC(O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)O2)C(O)=O
ChEBI Ontology
Outgoing Trichomycin B (CHEBI:35024) is a macrolide (CHEBI:25106)
Synonym Source
Trichomycin B KEGG COMPOUND
Manual Xref Database
C13451 KEGG COMPOUND
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Registry Number Type Source
12699-00-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014