Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 18:30:39 UTC
Update Date2022-09-22 18:35:10 UTC
HMDB IDHMDB0033750
Secondary Accession Numbers
  • HMDB33750
Metabolite Identification
Common NameD-Glycero-D-galacto-heptitol
DescriptionD-Glycero-D-galacto-heptitol belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. D-Glycero-D-galacto-heptitol has been detected, but not quantified in, several different foods, such as avocados (Persea americana), common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make D-glycero-D-galacto-heptitol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on D-Glycero-D-galacto-heptitol.
Structure
Data?1563862454
Synonyms
ValueSource
a-MannoheptitolHMDB
D-glycero-D-gulo-HeptatoleHMDB
D-glycero-D-gulo-HeptitolHMDB
D-glycero-L-gulo-HeptitolHMDB
HeptitolHMDB
L-glycero-D-manno-HeptitolHMDB, MeSH
meso-glycero-gulo-HeptitolHMDB
PerseitolHMDB, MeSH
Perseitol (D)HMDB
PersitolHMDB
L-glycero-D-MannoheptitolMeSH, HMDB
Perseitol, (L-galacto)-isomerMeSH, HMDB
Perseitol,. (L-glycero-D-galacto)-isomerMeSH, HMDB
D-Glycero-D-galacto-heptitolMeSH
Chemical FormulaC7H16O7
Average Molecular Weight212.1977
Monoisotopic Molecular Weight212.089602866
IUPAC Nameheptane-1,2,3,4,5,6,7-heptol
Traditional Name(+)-perseitol
CAS Registry Number527-06-0
SMILES
OCC(O)C(O)C(O)C(O)C(O)CO
InChI Identifier
InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2
InChI KeyOXQKEKGBFMQTML-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar alcohols
Alternative Parents
Substituents
  • Sugar alcohol
  • Monosaccharide
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point187 - 188 °CNot Available
Boiling Point248.00 to 281.00 °C. @ 1013.00 mm HgThe Good Scents Company Information System
Water Solubility64.6 mg/mL at 18 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility289 g/LALOGPS
logP-2.7ALOGPS
logP-4.4ChemAxon
logS0.13ALOGPS
pKa (Strongest Acidic)12.46ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area141.61 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity44.37 m³·mol⁻¹ChemAxon
Polarizability19.61 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+147.92531661259
DarkChem[M-H]-141.89731661259
DeepCCS[M+H]+140.38930932474
DeepCCS[M-H]-137.74630932474
DeepCCS[M-2H]-173.66830932474
DeepCCS[M+Na]+149.20630932474
AllCCS[M+H]+147.832859911
AllCCS[M+H-H2O]+144.232859911
AllCCS[M+NH4]+151.132859911
AllCCS[M+Na]+152.032859911
AllCCS[M-H]-140.032859911
AllCCS[M+Na-2H]-140.932859911
AllCCS[M+HCOO]-141.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-Glycero-D-galacto-heptitolOCC(O)C(O)C(O)C(O)C(O)CO4276.6Standard polar33892256
D-Glycero-D-galacto-heptitolOCC(O)C(O)C(O)C(O)C(O)CO2197.3Standard non polar33892256
D-Glycero-D-galacto-heptitolOCC(O)C(O)C(O)C(O)C(O)CO2013.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Glycero-D-galacto-heptitol,1TMS,isomer #1C[Si](C)(C)OCC(O)C(O)C(O)C(O)C(O)CO2081.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TMS,isomer #2C[Si](C)(C)OC(CO)C(O)C(O)C(O)C(O)CO2101.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TMS,isomer #3C[Si](C)(C)OC(C(O)CO)C(O)C(O)C(O)CO2095.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TMS,isomer #4C[Si](C)(C)OC(C(O)C(O)CO)C(O)C(O)CO2085.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C(O)CO2174.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #10C[Si](C)(C)OC(CO)C(O)C(O)C(O)C(CO)O[Si](C)(C)C2186.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #11C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C(O)CO2141.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #12C[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C(O)CO2128.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #2C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C(O)CO2187.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #3C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C(O)CO2159.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #4C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C(O)CO2163.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #5C[Si](C)(C)OCC(O)C(O)C(O)C(O)C(CO)O[Si](C)(C)C2190.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #6C[Si](C)(C)OCC(O)C(O)C(O)C(O)C(O)CO[Si](C)(C)C2203.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #7C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C(O)CO2172.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #8C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C(O)CO2154.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TMS,isomer #9C[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C)C(O)CO2148.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(O)CO2200.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #10C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2171.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #11C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C2211.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #12C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C2207.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #13C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2197.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #14C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO2164.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #15C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO2179.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #16C[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2197.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #17C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2168.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #18C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C2213.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #19C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2151.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(O)CO2198.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(O)CO2198.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C(CO)O[Si](C)(C)C2207.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #5C[Si](C)(C)OCC(O)C(O)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2208.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #6C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO2183.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #7C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO2205.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #8C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C2221.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TMS,isomer #9C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C2223.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO2146.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #10C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2174.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #11C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2146.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #12C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C2177.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #13C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C2181.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #14C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2188.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #15C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C2209.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #16C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2172.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #17C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2139.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #18C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2173.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #19C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2173.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO2161.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C2184.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #4C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2171.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2152.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C2197.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #7C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2196.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #8C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2190.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TMS,isomer #9C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2205.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2081.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #10C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2078.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #11C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C2078.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #12C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2085.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C2093.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #3C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2089.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2095.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #5C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2100.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2120.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #7C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2094.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #8C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2081.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TMS,isomer #9C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2106.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2069.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TMS,isomer #2C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2057.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2079.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2082.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2115.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C(O)CO2347.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)C(O)CO2357.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)C(O)CO2349.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O)C(O)CO2337.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(O)CO2653.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C2646.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2603.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2614.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO2637.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2623.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2631.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C2643.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C(O)CO[Si](C)(C)C(C)(C)C2641.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO2629.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2624.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2634.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO2793.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2769.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2806.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C2798.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2780.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2764.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2780.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2816.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2777.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2822.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2753.5Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2777.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2788.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C2797.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2777.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2771.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2781.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C2816.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2783.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2933.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2943.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2954.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3000.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2980.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2999.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3001.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2978.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2952.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2993.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2995.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2951.3Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C2987.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2935.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2962.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3004.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2972.4Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2995.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2977.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO3115.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3163.9Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3179.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3156.0Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3163.7Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3135.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3169.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3174.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3140.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3166.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3172.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3164.2Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3324.6Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3334.1Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3328.8Semi standard non polar33892256
D-Glycero-D-galacto-heptitol,6TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3333.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ir3-8900000000-e4d8c8b04ae346e4c3e32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (6 TMS) - 70eV, Positivesplash10-057i-7222389000-d193a626c9a8e27b8eb32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_3_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_4_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_5_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_5_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_5_9) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_5_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS (TBDMS_6_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glycero-D-galacto-heptitol GC-MS ("D-Glycero-D-galacto-heptitol,3TBDMS,#2" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , negative-QTOFsplash10-0006-0900000000-7356ff64f88476ae1c362017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , negative-QTOFsplash10-0006-0900000000-fc59a11393e4fac7ec0c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-000y-0900000000-0b0e7d2adb4ccee3d76e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-00di-0960000000-2265873dd38653d6fa682017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-004i-0690000000-4435366b495af7b638cd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-006x-0910000000-6ec7de36d510ef5d3d7e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-002f-0900000000-fc004c6b000ae00983242017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-0229-1960000000-159344bb7dee2b8403f72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-014i-0290000000-a1757f228a72615f19342017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol Linear Ion Trap , positive-QTOFsplash10-006x-0960000000-80087f6b4d3923bb62f42017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 10V, Positive-QTOFsplash10-03di-4890000000-396eff1142b476b0a2462015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 20V, Positive-QTOFsplash10-03di-9300000000-55eea66332c25977b7ae2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 40V, Positive-QTOFsplash10-03dl-9100000000-e6c4f96b69f025a58fb72015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 10V, Negative-QTOFsplash10-08mu-9820000000-43f4de708875fc566dcb2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 20V, Negative-QTOFsplash10-0c0c-9400000000-ae3865006576bc85da6b2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 40V, Negative-QTOFsplash10-0btc-9100000000-3cc1a82a83651599b2282015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 10V, Negative-QTOFsplash10-114r-9730000000-80de7670af0f8400a3742021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 20V, Negative-QTOFsplash10-0a4i-9000000000-f4ddf9b198eefce6eab22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 40V, Negative-QTOFsplash10-0a4i-9000000000-24761270dc4125170dbc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 10V, Positive-QTOFsplash10-03ka-3930000000-ca7f58992cb2fcc5f7bf2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 20V, Positive-QTOFsplash10-0229-9100000000-8709239e4a550a34b7342021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Glycero-D-galacto-heptitol 40V, Positive-QTOFsplash10-03k9-9000000000-2673f8de95d886ae8c2d2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012330
KNApSAcK IDC00001175
Chemspider ID91934
KEGG Compound IDC08255
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101748
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1019531
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .