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CHEBI:136743 - 2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glycerate

ChEBI IDCHEBI:136743
ChEBI Name2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glycerate
Stars
ASCII Name2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glycerate
DefinitionA carbohydrate acid derivative anion that is the conjugate base of 2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified11 July 2019
Submitternhn
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-KADMOUQGSA-M
ChEBI Ontology
Outgoing Relation(s)
2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glycerate (CHEBI:136743) is a carbohydrate acid derivative anion (CHEBI:63551)
2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glycerate (CHEBI:136743) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glycerate (CHEBI:136743) is conjugate base of 2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553)
Incoming Relation(s)
2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) is conjugate acid of 2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glycerate (CHEBI:136743)
IUPAC Name 
(2R)-3-hydroxy-2-{[6-O-(6-O-octanoyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}propanoate
Synonyms  Source
6-O-octanoyl-diglucosylglycerateSUBMITTER
6-Oct-DGG(1−)SUBMITTER
UniProt Name  Source
(2R)-2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl-(1→2)]-glycerateUniProt
Citations