CHEBI:182877 - [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate

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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 [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
ChEBI ID CHEBI:182877
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H42O12
Net Charge 0
Average Mass 510.577
Monoisotopic Mass 510.26763
InChI InChI=1S/C23H42O12/c1-12(2)8-6-4-3-5-7-9-15(25)32-11-14-17(27)19(29)21(31)23(34-14)35-22-20(30)18(28)16(26)13(10-24)33-22/h12-14,16-24,26-31H,3-11H2,1-2H3/t13-,14-,16-,17-,18+,19+,20-,21-,22+,23+/m1/s1
InChIKey VTEOBBGFBSSFNH-HIUXYCDVSA-N
SMILES O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCCC(C)C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
ChEBI Ontology
Outgoing [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate (CHEBI:182877) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
Manual Xref Database
32044378 ChemSpider
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