EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223730 - Lonomycin B

ChEBI IDCHEBI:223730
ChEBI NameLonomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76O14
Net Charge0
Average Mass829.078
Monoisotopic Mass828.52351
SMILESCO[C@@H]1[C@H](C)[C@H]([C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](OC)[C@@H](C)[C@H]([C@@H](C)[C@@H]5O[C@](O)([C@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@H]5C)O4)O3)O2)O[C@H]1[C@H]1O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C44H76O14/c1-21-29(49-12)20-43(56-31(21)22(2)32-23(3)34(51-14)27(7)44(48,57-32)28(8)39(45)46)19-18-40(9,58-43)30-16-17-41(10,54-30)38-25(5)35(52-15)37(53-38)36-24(4)33(50-13)26(6)42(11,47)55-36/h21-38,47-48H,16-20H2,1-15H3,(H,45,46)/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34+,35-,36+,37-,38-,40+,41+,42+,43-,44+/m1/s1
InChIKeyBKZOUCVNTCLNFF-MPOKQCPUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (711635)
ChEBI Ontology
Outgoing Relation(s)
Lonomycin B (CHEBI:223730) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2S)-2-[(2S,3R,4S,5R,6R)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9R)-2-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
Manual XrefsDatabases
78443126ChemSpider