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CHEBI:141058 - 2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl]-D-glycerate

Default Structure
ChEBI IDCHEBI:141058
ChEBI Name2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl]-D-glycerate
Stars
ASCII Name2-O-[6-O-octanoyl-alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-D-glycerate
Last Modified11 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H39O15
Net Charge-1
Average Mass555.550
Monoisotopic Mass555.22944
SMILESCCCCCCCC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H](CO)C(=O)[O-])[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H40O15/c1-2-3-4-5-6-7-14(25)34-9-12-15(26)17(28)19(30)22(37-12)35-10-13-16(27)18(29)20(31)23(38-13)36-11(8-24)21(32)33/h11-13,15-20,22-24,26-31H,2-10H2,1H3,(H,32,33)/p-1/t11-,12-,13-,15-,16+,17+,18+,19-,20-,22+,23+/m1/s1
InChIKeyVGKUTDQBPZMQAK-LOPSRDRFSA-M
ChEBI Ontology
Outgoing Relation(s)
2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl]-D-glycerate (CHEBI:141058) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
(2R)-2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl]-glycerateUniProt
Manual XrefsDatabases
CPD-20964MetaCyc
Citations