Ketcher 03201711452D 1   1.00000     0.00000     0

 17 18  0     1  0            999 V2000
   21.8380  -47.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8380  -46.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9602  -47.9085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6695  -45.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6695  -47.9085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0824  -46.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0824  -47.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9602  -45.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5473  -46.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5473  -47.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9602  -44.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2279  -47.9085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4251  -45.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2798  -46.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2798  -47.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4251  -44.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1576  -45.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  5  1  1  0     0  0
  4  2  1  0     0  0
  8  2  1  0     0  0
  7  3  2  0     0  0
  9  4  2  0     0  0
 10  5  2  0     0  0
  7  6  1  0     0  0
  8  6  1  0     0  0
 12  7  1  0     0  0
 11  8  2  0     0  0
 10  9  1  0     0  0
 13  9  1  0     0  0
 14 13  1  0     0  0
 13 16  1  1     0  0
 15 14  1  0     0  0
 14 17  1  1     0  0
M  END
> <ID>
CHEBI:63931

> <NAME>
L-erythro-biopterin

> <DEFINITION>
A biopterin in which the 1,2-dihydroxypropyl group has (1R,2S)-configuration; naturally occurring form.

> <STAR>
3

> <SYNONYM>
L-erythro-biopterin; (-)-biopterin

> <IUPAC_NAME>
2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]pteridin-4(3H)-one

> <FORMULA>
C9H11N5O3

> <MASS>
237.216

> <MONOISOTOPIC_MASS>
237.08619

> <CHARGE>
0

> <SMILES>
C12=C(N=C(C=N1)[C@H]([C@H](C)O)O)C(NC(=N2)N)=O

> <INCHI>
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1

> <INCHIKEY>
LHQIJBMDNUYRAM-DZSWIPIPSA-N

> <REAXYS_REGISTRY_NUMBER>
87860

> <METACYC_ACCESSION>
CPD-10819

> <PUBMED_CITATION>
1254867; 1880542; 4414114

$$$$