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Showing metabocard for Isopropyl beta-D-1-thiogalactopyranoside (BMDB0109734)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-05-06 19:44:30 UTC
Update Date2020-05-07 14:45:26 UTC
BMDB IDBMDB0109734
Secondary Accession NumbersNone
Metabolite Identification
Common NameIsopropyl beta-D-1-thiogalactopyranoside
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
IPTGChEBI
Isopropyl beta-D-1-thiogalactopyranosideChEBI
Isopropyl beta-D-thiogalactosideChEBI
Isopropyl thiogalactosideChEBI
Isopropyl-beta-D-thiogalactopyranosideChEBI
Isopropyl-beta-D-thiogalactosideChEBI
Isopropyl b-D-1-thiogalactopyranosideGenerator
Isopropyl β-D-1-thiogalactopyranosideGenerator
Isopropyl b-D-thiogalactosideGenerator
Isopropyl β-D-thiogalactosideGenerator
Isopropyl-b-D-thiogalactopyranosideGenerator
Isopropyl-β-D-thiogalactopyranosideGenerator
Isopropyl-b-D-thiogalactosideGenerator
Isopropyl-β-D-thiogalactosideGenerator
Isopropyl b-D-thiogalactopyranosideGenerator
Isopropyl β-D-thiogalactopyranosideGenerator
Thiogalactoside, isopropylMeSH
1-Thio-beta-D-galactopyranoside, isopropylMeSH
Isopropyl 1 thio beta D galactopyranosideMeSH
Isopropyl 1-thio-beta-D-galactopyranosideMeSH
Chemical FormulaC9H18O5S
Average Molecular Weight238.301
Monoisotopic Molecular Weight238.087494376
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
InChI KeyBPHPUYQFMNQIOC-NXRLNHOXSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentThioglycosides
Alternative Parents
Substituents
  • S-glycosyl compound
  • Oxane
  • Monosaccharide
  • Monothioacetal
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Sulfenyl compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organosulfur compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Mammary Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDNot Available
DrugBank IDDB01862
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound656894
PDB IDNot Available
ChEBI ID61448
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available