D-altro-Heptulose
PubChem CID: 439645
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| Compound Synonyms | D-altro-Heptulose, C02076, Volemulose, AC1L97R2, Hept-2-ulopyranose, SureCN7156313, SCHEMBL7156313, DTXSID10952581, (3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol, (3S,4R,5S,6R)-2,6-bis(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Description | Occurs in the common herbaceous perennial Sedum spectabile and probably present as a photosynthesis intermed. in all plants. Formed post mortem in mammalian tissues (CCD) Sedoheptulose or D-altro-heptulose is a ketoheptose — a monosaccharide with seven carbon atoms and a ketone functional group. It is one of the few heptoses found in nature. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Enzyme Uniprot Id | P37837, P50053, Q9UHJ6 |
| Iupac Name | (3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Nih Violation | False |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.9 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Monosaccharides |
| Molecular Formula | C7H14O7 |
| Inchi Key | HAIWUXASLYEWLM-QTSLKERKSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | altro-Heptulose, D-altro-2-Heptulose, D-altro-Hept-2-ulose, D-Sedoheptulose, Sedoheptulose, Volemulose |
| Substituent Name | Monosaccharide, Beta-hydroxy ketone, Beta-ketoaldehyde, Acyloin, Alpha-hydroxy ketone, Secondary alcohol, Polyol, Ketone, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | D-altro-Heptulose |
| Kingdom | Organic compounds |
| Exact Mass | 210.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 210.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | 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 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all