CHEBI:221478 - Triedimycin B

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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 Triedimycin B
ChEBI ID CHEBI:221478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H53N3O9
Net Charge 0
Average Mass 683.843
Monoisotopic Mass 683.37818
InChI InChI=1S/C37H53N3O9/c1-23(17-13-10-11-14-18-28-22-39-27(5)49-28)31(42)35(6,7)33(44)38-20-16-12-15-19-29(41)24(2)21-30(47-9)37(46)25(3)32(43)40(8)36(37)26(4)48-34(36)45/h10-17,19,22,24-26,29-31,41-42,46H,18,20-21H2,1-9H3,(H,38,44)/b13-10+,14-11+,16-12+,19-15+,23-17+
InChIKey AIFNQWJNODEFQR-FHEGIQTASA-N
SMILES O=C1N(C2(C(=O)OC2C)C(C1C)(O)C(OC)CC(C(O)/C=C/C=C/CNC(=O)C(C(O)/C(=C/C=C/C=C/CC=3OC(C)=NC3)/C)(C)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Triedimycin B (CHEBI:221478) has functional parent α-amino acid (CHEBI:33704)
Triedimycin B (CHEBI:221478) is a organonitrogen compound (CHEBI:35352)
Triedimycin B (CHEBI:221478) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide
Manual Xref Database
4940855 ChemSpider
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