UCSF

ZINC04096703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 No

CAS Numbers: 585-99-9 , 66009-10-7 , [585-99-9]

Other Names:

(Gal)1 (Glc)1; 6-O-alpha-D-galactopyranosyl-D-glucopyranose; D-Melibiose; Gal-alpha(1,6)Glc; alpha-D-Gal-(1->6)-D-Glc; alpha-D-galactosyl-(1->6)-D-glucose; melibiose

585-99-9; 6-(alpha-D-galactosido)-D-glucose; 6-O-(alpha-D-galactopyranosyl)-D-glucopyranose; 6-O-alpha-D-Galactopyranosyl-D-glucose; D-Gal-alpha(1->6)-D-glucose; D-melibiose; D-mellibiose; alpha-D-Galp-(1->6)-D-Glc; melibiose

585-99-9; 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose; C05402; D-Gal-alpha1->6D-Glucose; Melibiose

6-(a-D-galactosido)-D-glucose; 6-(a-delta-galactosido)-delta-glucose; 6-(D-galactosido)-D-glucose; 6-(D-galactosido)-delta-glucose; 6-O-a-D-galactopyranosyl-D-Glucose; 6-O-alpha-D-galactopyranosyl-D-Glucose; 6-O-alpha-delta-galactopyranosyl-delta-Glucose

6-(a-D-Galactosido)-D-glucose;6-(a-delta-Galactosido)-delta-glucose;6-(D-Galactosido)-D-glucose;6-(D-Galactosido)-delta-glucose;6-O-a-D-Galactopyranosyl-D-Glucose;6-O-alpha-D-Galactopyranosyl-D-Glucose;6-O-alpha-delta-Galactopyranosyl-delta-Glucose;6-O-He

6-(D-Galactosido)-D-glucose;6-(D-Galactosido)-delta-glucose;6-(a-D-Galactosido)-D-glucose;6-(a-delta-Galactosido)-delta-glucose;6-O-Hexopyranosylhexose;6-O-a-D-Galactopyranosyl-D-Glucose;6-O-alpha-D-Galactopyranosyl-D-Glucose;6-O-alpha-delta-Galactopyrano

6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose; D-Gal-alpha1->6D-Glucose; D-Glucose, 6-O-alpha-D-galactopyranosyl-; D-Melibiose; Melibiose; bmse000233

beta-melibiose

CHEBI:6733; CHEBI:60170; CHEBI:25182; CHEBI:20943

D(+)-Melibiose monohydrate, 99+%

D-(+)-Melibiose Monohydrate

D-Melibiose anhydrous

D-MELIBIOSE; [585-99-9]

Gal-alpha1-6-Glc-beta; Galalpha1-6Glcbeta; O(6)-alpha-D-galactopyranosyl-beta-D-glucopyranose; alpha-D-Galp-(1->6)-beta-D-Glcp

MFCD00198188

MFCD00198190

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.30 -16.36 -11.21 8 11 0 190 342.297 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 182 Acros Organics
UniProt Database Links AGAL2_HYPJE; AGAL3_HYPJE; AGAL8_EMENI; AGALA_ASPNG; AGAL_BACTN; AGAL_CELJU; AGAL_ORYSJ; AGAL_SCHPO; AGAL_SULSO; AGLA_THENE; ARALB_ARAEL; LECG2_APLKU; LECT_GANLU; LPLD_BACSU; MEL1_YEASX; MELB_ECOLI; MELB_ENTAE; MELB_KLEPN; MELB_SALTY; MELR_ECOL6; MELR_ECOL ChEBI
Patent Database Links EP1504761; EP1679077; EP1792607; EP1887017; EP1911454; EP1944021; US2005267169; US2007184007; WO2007112492; WO2007132480; WO2007135114 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )