CHEBI:227557 - 19-methoxybafilomycin C1 amide

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 19-methoxybafilomycin C1 amide
ChEBI ID CHEBI:227557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H63NO11
Net Charge 0
Average Mass 733.940
Monoisotopic Mass 733.44011
InChI InChI=1S/C40H63NO11/c1-22(2)37-27(7)32(50-34(43)17-16-33(41)42)21-40(49-12,52-37)29(9)36(45)28(8)38-30(47-10)15-13-14-23(3)18-25(5)35(44)26(6)19-24(4)20-31(48-11)39(46)51-38/h13-17,19-20,22,25-30,32,35-38,44-45H,18,21H2,1-12H3,(H2,41,42)/b15-13+,17-16+,23-14+,24-19+,31-20-/t25-,26+,27-,28-,29-,30-,32+,35-,36+,37+,38+,40+/m0/s1
InChIKey QALDSNALLKBQDG-WKYBDUKLSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)N)C(C)C)OC)C)C
Metabolite of Species Details
Kitasatospora albolonga (NCBI:txid68173) See: PubMed
ChEBI Ontology
Outgoing 19-methoxybafilomycin C1 amide (CHEBI:227557) is a macrolide (CHEBI:25106)
IUPAC Name
[(2R,4R,5S,6R)-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate
Manual Xref Database
128436947 ChemSpider
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