Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52587
Common Name:	3)-D-galactose>alpha-D-galactosyl-(1->3)-D-galactose
Systematic Name:	alpha-D-galactopyranosyl-(1->3)-D-galactose
Synonyms:	(Gal)2; 3-O-alpha-D-Galactopyranosyl-D-galactose; Bdi; Bdi-epitope; Gal(alpha1-3)Gal; Gal-alpha(1,3)Gal; Gal-alpha1,3-Gal; Galalpha,3Gal; Galalpha1,3Gal; Galalpha1-3Gal; alpha-D-Gal-(1->3)-D-Gal; alpha-D-Galp-(1->3)-D-Galp; dialphaGal; galactose-alpha-(1,3)-galactose; galactose-alpha-1,3-galactose; human blood group type B linear epitope [PubChem Synonyms]
Exact Mass:	342.1162 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H22O11
InChIKey:	QIGJYVCQYDKYDW-SDOYDPJRSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	O-glycosyl compounds [C0002207]
SMILES:	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](CO)OC([C@@H]1O)O)O)O)O)O)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	16219440
CHEBI ID:	53651

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y