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CHEBI:222244 - Oligomycin E

ChEBI IDCHEBI:222244
ChEBI NameOligomycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H72O13
Net Charge0
Average Mass821.058
Monoisotopic Mass820.49729
SMILESCC[C@H]1/C=C\C=C/C[C@@H](C)[C@H](O)[C@](C)(O)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](CC1)O[C@@]1(O[C@@H](C[C@@H](C)O)[C@@H](C)CC1=O)[C@@]2(C)O
InChIInChI=1S/C45H72O13/c1-12-32-17-15-13-14-16-25(3)40(52)43(10,54)41(53)31(9)39(51)30(8)38(50)29(7)37(49)24(2)18-21-36(48)56-42-28(6)33(20-19-32)57-45(44(42,11)55)35(47)22-26(4)34(58-45)23-27(5)46/h13-15,17-18,21,24-34,37,39-40,42,46,49,51-52,54-55H,12,16,19-20,22-23H2,1-11H3/b14-13-,17-15-,21-18+/t24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,37+,39+,40+,42+,43+,44+,45+/m1/s1
InChIKeyUWEZMQMMPORRMH-XBUZHXRVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3624067)
ChEBI Ontology
Outgoing Relation(s)
Oligomycin E (CHEBI:222244) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,4E,5'S,6R,6'S,7S,8R,10S,11S,12S,14S,15S,16R,18Z,20Z,22R,25R,27S,28S,29R)-22-ethyl-7,11,14,15,28-pentahydroxy-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]-3,3',9,13-tetrone