Marvin  03140823412D          

 15 15  0  0  1  0            999 V2000
   -1.2397    0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252    0.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0243    0.2824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893    0.0275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0243   -1.0524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5092   -0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182    0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252    1.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0471    0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327    1.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893   -0.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327    0.4400    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.3327   -0.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  6  1  0  0  0  0
  2  9  1  6  0  0  0
  1  2  1  0  0  0  0
  4 12  1  1  0  0  0
  1 13  2  0  0  0  0
  8 14  1  0  0  0  0
  1  3  1  0  0  0  0
 14 10  1  0  0  0  0
  2  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:17805

> <NAME>
D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12888; CHEBI:4270; CHEBI:20923

> <SYNONYM>
D-erythro-Imidazole-glycerol phosphate; D-erythro-Imidazole-glycerol 3-phosphate; D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate

> <IUPAC_NAME>
(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate

> <FORMULA>
C6H11N2O6P

> <MASS>
238.13518

> <MONOISOTOPIC_MASS>
238.03547

> <CHARGE>
0

> <SMILES>
O[C@H](COP(O)(O)=O)[C@@H](O)c1c[nH]cn1

> <INCHI>
InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1

> <INCHIKEY>
HFYBTHCYPKEDQQ-RITPCOANSA-N

> <KEGG_COMPOUND_ACCESSION>
C04666

> <KNAPSACK_ACCESSION>
C00007478

$$$$