CHEBI:165500 - Ustilagic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ustilagic acid
ChEBI ID CHEBI:165500
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H64O18
Net Charge 0
Average Mass 784.890
Monoisotopic Mass 784.40927
InChI InChI=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
InChIKey OUCYENMKGCGOOQ-SYULUIEFSA-N
SMILES O([C@H]1[C@H](O)C(O)[C@@H](OC1COC(=O)C)OCC(O)CCCCCCCCCCCCC(O)C(O)=O)[C@@H]2OC([C@@H](O)[C@H](O)C2OC(=O)CC(O)CCC)CO
ChEBI Ontology
Outgoing 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 Xref Database
LMFA13010033 LIPID MAPS
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