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CHEBI:226479 - Amycolatopsin C

ChEBI IDCHEBI:226479
ChEBI NameAmycolatopsin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H76O17
Net Charge0
Average Mass913.108
Monoisotopic Mass912.50825
SMILESCOCCC[C@H]1O[C@@](O)([C@H](C)C2CC(OC)C(O)C=C(C)/C=C(C)/C=C(\C)C(O[C@H]3O[C@H](C)[C@@H](OC)[C@H](O)[C@H]3O)C(C)/C=C(CO)/C=C(OC)/C=C(\C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C47H76O17/c1-25-17-26(2)19-34(49)36(58-11)23-35(30(6)47(55)43(60-13)42(52)46(8,54)37(64-47)15-14-16-56-9)62-44(53)29(5)21-33(57-10)22-32(24-48)20-28(4)40(27(3)18-25)63-45-39(51)38(50)41(59-12)31(7)61-45/h17-22,28,30-31,34-43,45,48-52,54-55H,14-16,23-24H2,1-13H3/b25-17+,26-19?,27-18+,29-21+,32-20-,33-22-/t28?,30-,31-,34?,35?,36?,37-,38-,39-,40?,41-,42-,43-,45-,46-,47+/m1/s1
InChIKeyVTVRDHRYRTVEOZ-HFPDYHEDSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (29066791)
ChEBI Ontology
Outgoing Relation(s)
Amycolatopsin C (CHEBI:226479) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7Z,11E,13E)-10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-7-(hydroxymethyl)-5,18-dimethoxy-3,9,11,13,15-pentamethyl-20-[(1R)-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one