EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219215 - Trehangelin B

ChEBI IDCHEBI:219215
ChEBI NameTrehangelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O13
Net Charge0
Average Mass506.501
Monoisotopic Mass506.19994
SMILESC/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C(C)=C\C)O[C@H](CO)[C@H]1O
InChIInChI=1S/C22H34O13/c1-5-9(3)19(29)33-17-14(26)12(8-24)31-21(16(17)28)35-22-18(34-20(30)10(4)6-2)15(27)13(25)11(7-23)32-22/h5-6,11-18,21-28H,7-8H2,1-4H3/b9-5-,10-6-/t11-,12-,13-,14-,15+,16-,17+,18-,21-,22-/m1/s1
InChIKeyBPLAUWULZQSBJX-PZDGXTGDSA-N
Species of MetaboliteComponentSourceComments
Polymorphospora (ncbitaxon:338583) - PubMed (23591606)
ChEBI Ontology
Outgoing Relation(s)
Trehangelin B (CHEBI:219215) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (Z)-2-methylbut-2-enoate