EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210031 - 21-O-b-D-Glucopyranosyl-18S-hydroxydihydroprotolichesterinate

ChEBI IDCHEBI:210031
ChEBI Name21-O-b-D-Glucopyranosyl-18S-hydroxydihydroprotolichesterinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O10
Net Charge0
Average Mass532.671
Monoisotopic Mass532.32475
SMILESC[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H48O10/c1-17(29)14-12-10-8-6-4-3-5-7-9-11-13-15-19-21(18(2)25(33)35-19)26(34)37-27-24(32)23(31)22(30)20(16-28)36-27/h17-24,27-32H,3-16H2,1-2H3/t17-,18+,19-,20+,21+,22+,23-,24+,27-/m0/s1
InChIKeyHLSBLCQCFVYDNL-IHQZWGTISA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (11557085)
ChEBI Ontology
Outgoing Relation(s)
21-O-b-D-Glucopyranosyl-18S-hydroxydihydroprotolichesterinate (CHEBI:210031) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3R,4R)-2-[(14S)-14-hydroxypentadecyl]-4-methyl-5-oxooxolane-3-carboxylate
Manual XrefsDatabases
78439716ChemSpider