2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid (CHEBI:137553)

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CHEBI:137553 - 2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid

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ChEBI ID	CHEBI:137553
ChEBI Name	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid
Stars
ASCII Name	2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid
Definition	A glycoside consisting of D-glyceric acid having a 6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl residue attached at position 2 via a glycosidic linkage.
Last Modified	27 June 2017
Submitter	Steve
Downloads	Molfile

Formula	C23H40O15
Net Charge	0
Average Mass	556.558
Monoisotopic Mass	556.23672
SMILES	CCCCCCCC(=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
InChI	InChI=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)/t11-,12-,13-,15-,16-,17+,18+,19-,20-,22+,23+/m1/s1
InChIKey	VGKUTDQBPZMQAK-KADMOUQGSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) has functional parent D-glyceric acid (CHEBI:32398)
	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) has functional parent octanoic acid (CHEBI:28837)
	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) is a O-acyl carbohydrate (CHEBI:52782)
	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) is a 3-hydroxy carboxylic acid (CHEBI:61355)
	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) is a disaccharide derivative (CHEBI:63353)
	2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid (CHEBI:137553) is a glycoside (CHEBI:24400)
	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)
Incoming Relation(s)
Incoming Relation(s)	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)

IUPAC Name
(2R)-3-hydroxy-2-{[6-O-(6-O-octanoyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}propanoic acid

Synonyms	Source
6-Oct-DGG	ChEBI
2-O-[6-O-octanoyl-α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl]-D-glyceric acid	ChEBI
6-O-octanoyl-diglucosylglyceric acid	ChEBI

Citations