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Showing Compound Lactose (FDB001145)

Record Information
Version1.0
Creation date2010-04-08 22:04:51 UTC
Update date2019-11-26 02:56:00 UTC
Primary IDFDB001145
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameLactose
DescriptionOccurs 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.
CAS Number63-42-3
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
(+)-LactoseChEBI
(Gal)1 (GLC)1ChEBI
1-beta-D-Galactopyranosyl-4-D-glucopyranoseChEBI
4-(beta-D-Galactosido)-D-glucoseChEBI
4-O-beta-D-Galactopyranosyl-D-glucoseChEBI
beta-D-Gal-(1->4)-D-GLCChEBI
beta-D-Galp-(1->4)-D-GLCPChEBI
beta-Gal1,4-GLCChEBI
D-LactoseChEBI
Galbeta1-4GLCChEBI
LacChEBI
LactobioseChEBI
LaktobioseChEBI
LaktoseChEBI
MilchzuckerChEBI
Milk sugarChEBI
Lactose, anhydrousKegg
1-b-D-Galactopyranosyl-4-D-glucopyranoseGenerator
1-Β-D-galactopyranosyl-4-D-glucopyranoseGenerator
4-(b-D-Galactosido)-D-glucoseGenerator
4-(Β-D-galactosido)-D-glucoseGenerator
4-O-b-D-Galactopyranosyl-D-glucoseGenerator
4-O-Β-D-galactopyranosyl-D-glucoseGenerator
b-D-Gal-(1->4)-D-GLCGenerator
Β-D-gal-(1->4)-D-GLCGenerator
b-D-Galp-(1->4)-D-GLCPGenerator
Β-D-galp-(1->4)-D-GLCPGenerator
b-Gal1,4-GLCGenerator
Β-gal1,4-GLCGenerator
Galbeta1-4-GLCChEBI
Anhydrous lactoseMeSH
1-b-D-Galactopyranosyl-4-a-D-glucopyranoseGenerator
1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranoseHMDB
1-β-D-galactopyranosyl-4-α-D-glucopyranoseGenerator
4-O-b-D-Galactopyranosyl-a-D-glucopyranoseGenerator
4-O-b-D-Galactopyranosyl-D-glucose, 9CI, 8CIdb_source
4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranoseChEBI
4-O-HexopyranosylhexoseHMDB
4-O-β-D-galactopyranosyl-α-D-glucopyranoseGenerator
a-LactoseGenerator
AletobioseHMDB
b-D-Galp-(1->4)-a-D-glcpGenerator
beta-D-Gal-1-4-D-Glcbiospider
beta-D-Galp-(1->4)-alpha-D-glcpChEBI
D-lactosebiospider
DilactoseHMDB
Fast-flo lactoseHMDB
Flowlac 100HMDB
Galactinumbiospider
Glc-(4-1)Galbiospider
Granulac 140mHMDB
Lactindb_source
Lactin (carbohydrate)HMDB
Lactohale 300HMDB
Lactose anhydrideHMDB
Lactose fast-floHMDB
OsmolactanHMDB
Pharmatosa dcl 21HMDB
Pharmatose 21HMDB
Pharmatose 325mHMDB
Pharmatose dcl 15HMDB
PrismalacHMDB
Respitose ml 003HMDB
Respitose sv 003HMDB
Saccharum lactinHMDB
SachelacHMDB
Sorbalac 400HMDB
Sorbolac 400HMDB
SpherolacHMDB
Super-tabHMDB
TablettoseHMDB
Tablettose 70HMDB
Tablettose 80HMDB
Zeparox epHMDB
α-lactoseGenerator
β-D-galp-(1->4)-α-D-glcpGenerator
Predicted Properties
PropertyValueSource
Water Solubility586 g/LALOGPS
logP-3ALOGPS
logP-4.7ChemAxon
logS0.23ALOGPS
pKa (Strongest Acidic)11.25ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area189.53 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity68.34 m³·mol⁻¹ChemAxon
Polarizability31.32 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC12H22O11
IUPAC name(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
InChI IdentifierInChI=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
InChI KeyGUBGYTABKSRVRQ-QKKXKWKRSA-N
Isomeric SMILESOC[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
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
Classification
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 42.11%; H 6.48%; O 51.42%DFC
Melting Point201-202 oC
Boiling PointNot Available
Experimental Water Solubility195 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
Charge0
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01tc-0419000000-7756e1f28bcc76e75af12017-07-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03fr-1915000000-f7a01cbe1a1eba1f39b12017-07-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01we-4920000000-0dcd848ee51f4218f67a2017-07-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-2379000000-abb41b2f1a43083992ca2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0200-3923000000-87a71f93194716a7f75d2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004l-6900000000-a0954b0f7ffc379d1dee2017-07-26View Spectrum
NMRNot Available
ChemSpider ID76293
ChEMBL IDNot Available
KEGG Compound IDC00243
Pubchem Compound ID84571
Pubchem Substance IDNot Available
ChEBI ID17716
Phenol-Explorer IDNot Available
DrugBank IDDB04465
HMDB IDHMDB00186
CRC / DFC (Dictionary of Food Compounds) IDBTV09-V:BTV09-V
EAFUS ID1974
Dr. Duke IDLACTOSE
BIGG ID34366
KNApSAcK IDC00001136
HET IDLBT
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDLactose
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
anti encephalopathic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti hepatotic62868 Any compound that is able to prevent damage to the liver.DUKE
neoplasticDUKE
sweetener50505 Substance that sweeten food, beverages, medications, etc.DUKE
Enzymes
NameGene NameUniProt ID
Lactase-phlorizin hydrolaseLCTP09848
Beta-galactosidaseGLB1P16278
Alpha-lactalbuminLALBAP00709
Pathways
NameSMPDB LinkKEGG Link
Galactose MetabolismSMP00043 map00052
Lactose DegradationSMP00457 Not Available
Lactose SynthesisSMP00444 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).