EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165500 - Ustilagic acid

ChEBI IDCHEBI:165500
ChEBI NameUstilagic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H64O18
Net Charge0
Average Mass784.890
Monoisotopic Mass784.40927
SMILESCCCC(O)CC(=O)OC1[C@H](O[C@@H]2C(COC(C)=O)O[C@@H](OCC(O)CCCCCCCCCCCCC(O)C(=O)O)C(O)[C@H]2O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C36H64O18/c1-3-14-22(39)17-27(42)53-33-29(44)28(43)25(18-37)51-36(33)54-32-26(20-49-21(2)38)52-35(31(46)30(32)45)50-19-23(40)15-12-10-8-6-4-5-7-9-11-13-16-24(41)34(47)48/h22-26,28-33,35-37,39-41,43-46H,3-20H2,1-2H3,(H,47,48)/t22?,23?,24?,25?,26?,28-,29+,30-,31?,32-,33?,35-,36+/m1/s1
InChIKeyOUCYENMKGCGOOQ-SYULUIEFSA-N
ChEBI Ontology
Outgoing Relation(s)
Ustilagic acid (CHEBI:165500) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
16-[(2R,4R,5S)-6-(acetyloxymethyl)-5-[(2S,4S,5S)-4,5-dihydroxy-3-(3-hydroxyhexanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic acid
Manual XrefsDatabases
LMFA13010033LIPID MAPS