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CHEBI:217179 - Lanyamycin

ChEBI IDCHEBI:217179
ChEBI NameLanyamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H63NO12
Net Charge0
Average Mass809.994
Monoisotopic Mass809.43503
SMILESCCC(C(=O)NC(O)C(O)C(C)C(=O)C(C)C(O)CC(=O)/C(C)=C/CC1OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@H](O)C(C)C/C=C/C=C/C1OC)C(=O)c1ccccc1
InChIInChI=1S/C45H63NO12/c1-10-33(42(52)32-18-14-12-15-19-32)43(53)46-44(54)41(51)31(7)40(50)30(6)35(48)25-34(47)27(3)21-22-37-36(56-8)20-16-11-13-17-28(4)39(49)29(5)23-26(2)24-38(57-9)45(55)58-37/h11-16,18-21,23-24,28-31,33,35-37,39,41,44,48-49,51,54H,10,17,22,25H2,1-9H3,(H,46,53)/b13-11+,20-16+,26-23+,27-21+,38-24+/t28?,29-,30?,31?,33?,35?,36?,37?,39-,41?,44?/m1/s1
InChIKeyVKNCXLQLDARYKJ-YWAHNXEHSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (30013682)
ChEBI Ontology
Outgoing Relation(s)
Lanyamycin (CHEBI:217179) is a macrolide (CHEBI:25106)
IUPAC Name 
2-benzoyl-N-[(E)-1,2,6-trihydroxy-11-[(4E,6E,10R,11R,12E,14E)-10-hydroxy-3,15-dimethoxy-9,11,13-trimethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3,5,9-trimethyl-4,8-dioxoundec-9-enyl]butanamide