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CHEBI:221778 - 26-deoxymonensin A

ChEBI IDCHEBI:221778
ChEBI Name26-deoxymonensin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O10
Net Charge0
Average Mass654.882
Monoisotopic Mass654.43430
SMILESCC[C@]1([C@@H]2O[C@@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@H](OC)[C@H](C)C(=O)O)O3)O2)O1
InChIInChI=1S/C36H62O10/c1-11-35(31-20(3)17-26(42-31)28-19(2)16-21(4)34(9,40)44-28)13-12-27(43-35)33(8)14-15-36(46-33)18-25(37)22(5)30(45-36)23(6)29(41-10)24(7)32(38)39/h19-31,37,40H,11-18H2,1-10H3,(H,38,39)/t19-,20-,21+,22+,23-,24-,25-,26+,27-,28-,29-,30-,31+,33-,34-,35+,36+/m0/s1
InChIKeyGORGDRGXUKJXOM-OQKBIKENSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2753815)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
26-deoxymonensin A (CHEBI:221778) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(2S,3S,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2S,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
Manual XrefsDatabases
78442950ChemSpider