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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:39 UTC
Update Date2022-03-07 02:52:21 UTC
HMDB IDHMDB0029935
Secondary Accession Numbers
  • HMDB29935
Metabolite Identification
Common NameD-manno-2-Heptulose
DescriptionD-manno-2-Heptulose, also known as mannoketoheptose, belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Based on a literature review very few articles have been published on D-manno-2-Heptulose.
Structure
Data?1563897474
Synonyms
ValueSource
alpha-D-MannoheptulopyranoseChEBI
MannoheptuloseKegg
a-D-MannoheptulopyranoseGenerator
Α-D-mannoheptulopyranoseGenerator
a-D-Manno-heptulopyranoseHMDB
Α-D-manno-heptulopyranoseHMDB
MannoketoheptoseHMDB
(+)-MannoheptuloseHMDB
D-MannoheptuloseHMDB
D-Manno-heptuloseHMDB
alpha-D-Manno-2-heptulopyranoseHMDB
Α-D-manno-2-heptulopyranoseHMDB
Chemical FormulaC7H14O7
Average Molecular Weight210.182
Monoisotopic Molecular Weight210.073952791
IUPAC Name(2S,3S,4S,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Namemannoketoheptose
CAS Registry Number60426-75-7
SMILES
OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5+,6+,7+/m1/s1
InChI KeyHAIWUXASLYEWLM-VEIUFWFVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentC-glycosyl compounds
Alternative Parents
Substituents
  • Hexose monosaccharide
  • C-glycosyl compound
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point151 - 152 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility916 g/LALOGPS
logP-2.6ALOGPS
logP-3.4ChemAxon
logS0.64ALOGPS
pKa (Strongest Acidic)10.28ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area130.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.32 m³·mol⁻¹ChemAxon
Polarizability19.14 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+144.32730932474
DeepCCS[M-H]-141.9630932474
DeepCCS[M-2H]-176.73930932474
DeepCCS[M+Na]+151.02530932474
AllCCS[M+H]+147.132859911
AllCCS[M+H-H2O]+143.132859911
AllCCS[M+NH4]+150.932859911
AllCCS[M+Na]+151.932859911
AllCCS[M-H]-138.132859911
AllCCS[M+Na-2H]-138.732859911
AllCCS[M+HCOO]-139.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-manno-2-HeptuloseOC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O3672.1Standard polar33892256
D-manno-2-HeptuloseOC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O2177.4Standard non polar33892256
D-manno-2-HeptuloseOC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O1870.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-manno-2-Heptulose,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O1981.7Semi standard non polar33892256
D-manno-2-Heptulose,1TMS,isomer #2C[Si](C)(C)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O1953.9Semi standard non polar33892256
D-manno-2-Heptulose,1TMS,isomer #3C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O1984.5Semi standard non polar33892256
D-manno-2-Heptulose,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(O)CO1965.1Semi standard non polar33892256
D-manno-2-Heptulose,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@](O)(CO)O[C@H](CO)[C@H]1O1950.8Semi standard non polar33892256
D-manno-2-Heptulose,1TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@](O)(CO)[C@@H](O)[C@H]1O1933.9Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O1952.0Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #10C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O1929.9Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #11C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O1946.9Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #12C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C1954.9Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@](O)(CO)O[C@H](CO)[C@H]1O1919.2Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@](O)(CO)O[C@@H]1CO1917.7Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@](O)(CO)O[C@H](CO)[C@H]1O[Si](C)(C)C1889.9Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O1951.1Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1953.4Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1933.0Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1924.2Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #6C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O1950.2Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H]1O1934.0Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O1939.2Semi standard non polar33892256
D-manno-2-Heptulose,2TMS,isomer #9C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@]1(CO)O[Si](C)(C)C1942.2Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O1920.9Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1878.2Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #11C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O1950.7Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #12C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O1964.6Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #13C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C1954.1Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@](CO)(O[Si](C)(C)C)O[C@@H]1CO1944.9Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C1942.5Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O1950.1Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #17C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1911.8Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #18C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C1942.9Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #19C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1941.6Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1942.6Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@](O)(CO)O[C@H](CO)[C@H]1O[Si](C)(C)C1910.1Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1958.3Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1946.2Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1927.6Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1932.7Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1903.3Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1921.0Semi standard non polar33892256
D-manno-2-Heptulose,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1915.9Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1949.7Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1943.0Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #11C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1985.5Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #12C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C1992.1Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #13C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2014.9Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C1997.3Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #15C[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1975.6Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1984.1Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1963.6Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1993.3Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1986.4Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1974.6Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1975.4Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1979.7Semi standard non polar33892256
D-manno-2-Heptulose,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1937.7Semi standard non polar33892256
D-manno-2-Heptulose,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2048.5Semi standard non polar33892256
D-manno-2-Heptulose,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2027.5Semi standard non polar33892256
D-manno-2-Heptulose,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2006.2Semi standard non polar33892256
D-manno-2-Heptulose,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2040.2Semi standard non polar33892256
D-manno-2-Heptulose,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1998.6Semi standard non polar33892256
D-manno-2-Heptulose,5TMS,isomer #6C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2065.6Semi standard non polar33892256
D-manno-2-Heptulose,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2108.6Semi standard non polar33892256
D-manno-2-Heptulose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O2232.2Semi standard non polar33892256
D-manno-2-Heptulose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O2224.8Semi standard non polar33892256
D-manno-2-Heptulose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O2249.9Semi standard non polar33892256
D-manno-2-Heptulose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(O)CO2196.7Semi standard non polar33892256
D-manno-2-Heptulose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@](O)(CO)O[C@H](CO)[C@H]1O2178.0Semi standard non polar33892256
D-manno-2-Heptulose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@](O)(CO)[C@@H](O)[C@H]1O2186.5Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O2433.0Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2408.6Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2417.9Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2428.6Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@](O)(CO)O[C@H](CO)[C@H]1O2388.4Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@](O)(CO)O[C@@H]1CO2384.5Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@](O)(CO)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2367.2Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O2456.5Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2435.0Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2408.4Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2397.7Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O2433.2Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2409.4Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@](CO)(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O2410.1Semi standard non polar33892256
D-manno-2-Heptulose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@]1(CO)O[Si](C)(C)C(C)(C)C2413.8Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O2641.6Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2599.6Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2645.8Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2659.2Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2657.5Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO2636.1Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@](CO)(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2640.7Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O2647.3Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2632.8Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2659.9Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2660.5Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2647.2Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@](O)(CO)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2630.4Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2653.3Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2641.9Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2673.2Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2650.2Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2630.5Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2641.9Semi standard non polar33892256
D-manno-2-Heptulose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2646.4Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2861.1Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2837.4Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2860.3Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2866.3Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2868.7Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2857.4Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2852.4Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2864.4Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2851.2Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2864.7Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2861.1Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2860.5Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2867.1Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2879.7Semi standard non polar33892256
D-manno-2-Heptulose,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2841.6Semi standard non polar33892256
D-manno-2-Heptulose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3044.9Semi standard non polar33892256
D-manno-2-Heptulose,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3039.5Semi standard non polar33892256
D-manno-2-Heptulose,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3026.7Semi standard non polar33892256
D-manno-2-Heptulose,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3046.8Semi standard non polar33892256
D-manno-2-Heptulose,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3058.4Semi standard non polar33892256
D-manno-2-Heptulose,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@]1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3048.1Semi standard non polar33892256
D-manno-2-Heptulose,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3249.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-manno-2-Heptulose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-manno-2-Heptulose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 10V, Positive-QTOFNot Available2020-06-30Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 20V, Positive-QTOFNot Available2020-06-30Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 40V, Positive-QTOFNot Available2020-06-30Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 10V, Negative-QTOFNot Available2020-06-30Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 20V, Negative-QTOFNot Available2020-06-30Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 40V, Negative-QTOFNot Available2020-06-30Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 10V, Negative-QTOFsplash10-0a4i-2290000000-b75209a2ded2569fd90d2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 20V, Negative-QTOFsplash10-0a4i-9110000000-469f32ec283b1ab3663a2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 40V, Negative-QTOFsplash10-0a4i-9000000000-e748c71d0610471789b62021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 10V, Positive-QTOFsplash10-03di-0490000000-2c85b0b40e4eb7c699e12021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 20V, Positive-QTOFsplash10-03di-9330000000-154c47472db8afc2b7be2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-manno-2-Heptulose 40V, Positive-QTOFsplash10-0c29-9000000000-947d80d103b7151973d42021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001201
KNApSAcK IDC00052342
Chemspider ID390153
KEGG Compound IDC08236
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound441419
PDB IDNot Available
ChEBI ID28657
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.. .