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CHEBI:199064 - 21-hydroxy oligomycin C

ChEBI IDCHEBI:199064
ChEBI Name21-hydroxy oligomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74O11
Net Charge0
Average Mass791.076
Monoisotopic Mass790.52311
SMILESCC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@@H]2[C@H](C)[C@H](C[C@H]1O)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@H]2C
InChIInChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-25(3)39(49)29(7)41(51)31(9)43(53)32(10)42(52)30(8)40(50)26(4)18-19-38(48)54-44-28(6)37(23-35(34)47)56-45(33(44)11)21-20-24(2)36(55-45)22-27(5)46/h13-15,17-19,24-37,39-40,43-44,46-47,49-50,53H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34-,35+,36-,37-,39-,40+,43-,44+,45+/m0/s1
InChIKeyPDHNJYCZSJPJDI-ZZIRKPJYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26565618)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxy oligomycin C (CHEBI:199064) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,4E,5'S,6S,6'S,7R,8S,10R,11S,12S,14S,15S,16R,18E,20E,22S,23R,25S,27R,28S,29R)-22-ethyl-7,11,15,23-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione