CHEBI:168158 - 1-O-alpha-D-glucopyranosyl-1,2-eicosandiol

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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 1-O-alpha-D-glucopyranosyl-1,2-eicosandiol
ChEBI ID CHEBI:168158
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H52O7
Net Charge 0
Average Mass 476.695
Monoisotopic Mass 476.37130
InChI InChI=1S/C26H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(28)20-32-26-25(31)24(30)23(29)22(19-27)33-26/h21-31H,2-20H2,1H3/t21?,22?,23-,24?,25+,26+/m1/s1
InChIKey NNSQMUPTXPAGLB-RWAJGHALSA-N
SMILES O1C([C@@H](O)C(O)[C@H](O)[C@H]1OCC(O)CCCCCCCCCCCCCCCCCC)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 1-O-alpha-D-glucopyranosyl-1,2-eicosandiol (CHEBI:168158) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
(2S,3S,5S)-2-(2-hydroxyicosoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
24822114 ChemSpider
LMFA13010005 LIPID MAPS
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