Lactobiose
PubChem CID: 440995
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| Compound Synonyms | Milchzucker, Laktobiose, Laktose, beta-Gal1,4-Glc, Lactobiose, CHEBI:17716, beta-D-Galp-(1->4)-D-Glcp, (Gal)1 (Glc)1, Galbeta1-4-Glc, beta-D-Gal-(1->4)-D-Glc, 1-beta-D-Galactopyranosyl-4-D-glucopyranose, CHEMBL1159651, beta-D-galactopyranosyl-(1->4)-D-glucopyranose, Lactosum anhydricum, Lactose (TN), Galbeta1-4Glc, 4-O-beta-D-galactopyranosyl-D-glucopyranose, Gal(b1-4)Glc, Epitope ID:142487, Anhydrous lactose (JP18), SCHEMBL8446, Lactose, anhydrous (JAN/NF), GUBGYTABKSRVRQ-QKKXKWKRSA-N, DTXSID501015196, x-ray exposed (1000 rad)lactose, BDBM50572952, AKOS040732197, DB04465, 4-O-ss-D-Galactopyranosyl-a-D-glucose, a-D-Lactose monohydrate, NF/USP EP JP, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, DB-230566, 4-O-(beta-D-galactopyranosyl)-D-glucopyranose, C00243, D00046, EN300-19650781, Q27890379, F_FULL_20000000000000_GS_4019, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Pathway Kegg Map Id | map00052 |
| Description | Occurs in mammalian milk (human 6-7%, cow 4-5%), fruits of sapodilla Achras sapota, and a few other plants. Nutrient. obtained industrially from whey Lactose is a disaccharide sugar that is found most notably in milk and is formed from galactose and glucose. Lactose makes up around 2-8% of milk (by weight), although the amount varies among species and individuals. It is extracted from sweet or sour whey. [Wikipedia]. Lactose in the urine is a biomarker for the consumption of milk. Lactose is found in many foods, some of which are tortilla, swamp cabbage, scrapple, and spearmint. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Enzyme Uniprot Id | P09848, P00709, P16278 |
| Iupac Name | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -4.7 |
| Superclass | Organooxygen compounds |
| Subclass | Glycosyl compounds |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUBGYTABKSRVRQ-QKKXKWKRSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.361 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -3.112 |
| Synonyms | (+)-Lactose, 1-b-D-Galactopyranosyl-4-a-D-glucopyranose, 1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranose, 1-β-D-galactopyranosyl-4-α-D-glucopyranose, 4-O-b-D-Galactopyranosyl-a-D-glucopyranose, 4-O-b-D-Galactopyranosyl-D-glucose, 9CI, 8CI, 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose, 4-O-Hexopyranosylhexose, 4-O-β-D-galactopyranosyl-α-D-glucopyranose, a-Lactose, Aletobiose, Anhydrous lactose, b-D-Galp-(1->4)-a-D-glcp, beta-D-Gal-1-4-D-Glc, beta-D-Galp-(1->4)-alpha-D-glcp, D-lactose, Dilactose, Fast-flo lactose, Flowlac 100, Galactinum, Glc-(4-1)Gal, Granulac 140m, Lactin, Lactin (carbohydrate), Lactobiose, Lactohale 300, Lactose anhydride, Lactose fast-flo, Milk sugar, Osmolactan, Pharmatosa dcl 21, Pharmatose 21, Pharmatose 325m, Pharmatose dcl 15, Prismalac, Respitose ml 003, Respitose sv 003, Saccharum lactin, Sachelac, Sorbalac 400, Sorbolac 400, Spherolac, Super-tab, Tablettose, Tablettose 70, Tablettose 80, Zeparox ep, α-lactose, β-D-galp-(1->4)-α-D-glcp, (Gal)1 (GLC)1, 1-beta-D-Galactopyranosyl-4-D-glucopyranose, 4-(beta-D-Galactosido)-D-glucose, 4-O-beta-D-Galactopyranosyl-D-glucose, beta-D-Gal-(1->4)-D-GLC, beta-D-Galp-(1->4)-D-GLCP, beta-Gal1,4-GLC, D-Lactose, Galbeta1-4GLC, Lac, Laktobiose, Laktose, Milchzucker, Lactose, anhydrous, 1-b-D-Galactopyranosyl-4-D-glucopyranose, 1-Β-D-galactopyranosyl-4-D-glucopyranose, 4-(b-D-Galactosido)-D-glucose, 4-(Β-D-galactosido)-D-glucose, 4-O-b-D-Galactopyranosyl-D-glucose, 4-O-Β-D-galactopyranosyl-D-glucose, b-D-Gal-(1->4)-D-GLC, Β-D-gal-(1->4)-D-GLC, b-D-Galp-(1->4)-D-GLCP, Β-D-galp-(1->4)-D-GLCP, b-Gal1,4-GLC, Β-gal1,4-GLC, 3beta,16beta-Dihydroxy-7beta-methoxycucurbita-5,24-diene-3-O-beta-D-xylopyranoside-16-O-(6-O-acetyl)-beta-D-glucopyranoside, GM(m), GMM, (3,4,5-Trihydroxy-6-{[9-methoxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl]oxy}oxan-2-yl)methyl acetic acid |
| Substituent Name | O-glycosyl compound, Disaccharide, Oxane, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Lactobiose |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.5508586 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:fooddb_chem_all