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CHEBI:202333 - 2-Demethylmonensin B

ChEBI IDCHEBI:202333
ChEBI Name2-Demethylmonensin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H58O11
Net Charge0
Average Mass642.827
Monoisotopic Mass642.39791
SMILESCO[C@@H](CC(=O)O)[C@H](C)[C@H]1OC2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C
InChIInChI=1S/C34H58O11/c1-18-13-20(3)34(39,17-35)44-28(18)25-14-19(2)30(41-25)32(7)10-9-26(42-32)31(6)11-12-33(45-31)16-23(36)21(4)29(43-33)22(5)24(40-8)15-27(37)38/h18-26,28-30,35-36,39H,9-17H2,1-8H3,(H,37,38)/t18-,19-,20+,21+,22-,23-,24-,25+,26+,28-,29-,30+,31-,32-,33?,34-/m0/s1
InChIKeyPTNKQCLZZIRAHK-FOOOHGOBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces virginiae (ncbitaxon:1961) - PubMed (8931729)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-Demethylmonensin B (CHEBI:202333) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(3S,4S)-4-[(2S,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxypentanoic acid
Manual XrefsDatabases
78442545ChemSpider