ChEBI


 10 10  0  0  1  0  0  0  0  0  1 V2000
   14.2745  -14.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2745  -15.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226  -13.7877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226  -16.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9708  -14.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9708  -15.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4263  -13.7877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4263  -16.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226  -17.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8190  -16.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  6  0  0  0
  2  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  6  0  0  0
M  END
> <ID>
CHEBI:28518

> <NAME>
alpha-D-xylose

> <DEFINITION>
A D-xylopyranose in with an ?-configuration at the anomeric position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22415; CHEBI:46595; CHEBI:10272

> <SYNONYM>
WURCS=2.0/1,1,0/[a212h-1a_1-5]/1/; alpha-D-xylose; alpha-D-Xylose

> <IUPAC_NAME>
alpha-D-xylopyranose

> <FORMULA>
C5H10O5

> <MASS>
150.12990

> <MONOISOTOPIC_MASS>
150.05282

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

> <INCHIKEY>
SRBFZHDQGSBBOR-LECHCGJUSA-N

> <CAS_REGISTRY_NUMBER>
6763-34-4

> <DRUGBANK_ACCESSION>
DB03389

> <KEGG_COMPOUND_ACCESSION>
C02205

> <KNAPSACK_ACCESSION>
C00007290

$$$$