6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-) (CHEBI:58312)

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CHEBI:58312 - 6-phosphonato-β-D-glucosyl-(1→4)-D-glucose(2−)

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ChEBI ID	CHEBI:58312
ChEBI Name	6-phosphonato-β-D-glucosyl-(1→4)-D-glucose(2−)
Stars
ASCII Name	6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-)
Definition	An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 6-phospho-β-D-glucosyl-(1→4)-D-glucose; major species at pH 7.3.
Last Modified	24 November 2014
Downloads	Molfile

Formula	C12H21O14P
Net Charge	-2
Average Mass	420.260
Monoisotopic Mass	420.06799
SMILES	O=P([O-])([O-])OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1
InChIKey	ITPHOIFCAFNCLL-CUHNMECISA-L

ChEBI Ontology

Outgoing Relation(s)
	6-phosphonato-β-D-glucosyl-(1→4)-D-glucose(2−) (CHEBI:58312) is a organophosphate oxoanion (CHEBI:58945)
	6-phosphonato-β-D-glucosyl-(1→4)-D-glucose(2−) (CHEBI:58312) is conjugate base of 6-phospho-β-D-glucosyl-(1→4)-D-glucose (CHEBI:17888)
Incoming Relation(s)
	6-phospho-β-D-glucosyl-(1→4)-D-glucose (CHEBI:17888) is conjugate acid of 6-phosphonato-β-D-glucosyl-(1→4)-D-glucose(2−) (CHEBI:58312)

IUPAC Name
6-O-phosphonato-β-D-glucopyranosyl-(1→4)-D-glucopyranose

Synonyms	Source
4-O-(6-O-phosphonato-β-D-glucopyranosyl)-D-glucopyranose	IUPAC
6'-O-phosphonatocellobiose	ChEBI
6'-O-phosphonatocellobiose(2−)	ChEBI
6'-O-phosphonatocellobiose dianion	ChEBI
6'-phosphonatocellobiose	ChEBI
6'-phosphonatocellobiose(2−)	ChEBI

UniProt Name	Source
6-phospho-β-D-glucosyl-(1→4)-D-glucose	UniProt