ChEBI


 10 10  0  0  1  0  0  0  0  0  1 V2000
    9.1700  -25.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1833  -26.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9586  -27.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1833  -28.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9147  -28.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4386  -25.9235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9014  -25.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2742  -27.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5827  -29.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9147  -26.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
 10  2  1  0  0  0  0
  3  8  1  6  0  0  0
  4  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <ID>
CHEBI:28552

> <NAME>
alpha-D-ribulose

> <DEFINITION>
A D-ribulose with an α-configuration at the anomeric position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10271; CHEBI:22414

> <SYNONYM>
alpha-D-Ribulose

> <IUPAC_NAME>
alpha-D-erythro-pent-2-ulofuranose

> <FORMULA>
C5H10O5

> <MASS>
150.12990

> <MONOISOTOPIC_MASS>
150.05282

> <CHARGE>
0

> <SMILES>
OC[C@]1(O)OC[C@@H](O)[C@H]1O

> <INCHI>
InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m1/s1

> <INCHIKEY>
LQXVFWRQNMEDEE-WDCZJNDASA-N

> <CAS_REGISTRY_NUMBER>
131064-69-2

> <REAXYS_REGISTRY_NUMBER>
4349808

> <KEGG_COMPOUND_ACCESSION>
C08354

> <KNAPSACK_ACCESSION>
C00001131

$$$$