Marvin  10120722222D          

 10  9  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.8578    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  2  6  1  0  0  0  0
  6  9  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:14336

> <NAME>
glycerol 1-phosphate

> <DEFINITION>
A glycerol monophosphate having the phosphate group located at position 1.

> <STAR>
3

> <SYNONYM>
rac-Glycerol 1-phosphate; PG; glycerol alpha-phosphate; Glycerol 1-phosphate; DL-Glyceryl 1-phosphate; DL-Glycerol 3-phosphate; DL-Glycerol 3-phosphate; DL-glycerol 1-phosphate; D,L-alpha-glycerol-phosphate; alpha-phosphoglycerol; alpha-glycerophosphoric acid; 3-glycerophosphate; 2,3-hydroxy-1-propyl dihydrogen phosphate; 2,3-dihydroxypropyl dihydrogen phosphate; 1-phosphoglycerol; 1-glycerophosphoric acid; 1-glycerophosphate; 1,2,3-propanetriol, 1-(dihydrogen phosphate)

> <IUPAC_NAME>
glycerol 1-(dihydrogen phosphate); 2,3-dihydroxypropyl dihydrogen phosphate

> <FORMULA>
C3H9O6P

> <MASS>
172.07370

> <MONOISOTOPIC_MASS>
172.01368

> <CHARGE>
0

> <SMILES>
OCC(O)COP(O)(O)=O

> <INCHI>
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

> <INCHIKEY>
AWUCVROLDVIAJX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
57-03-4

> <REAXYS_REGISTRY_NUMBER>
1723974

> <CHEMIDPLUS>
57-03-4

> <KEGG_COMPOUND_ACCESSION>
C03189

> <METACYC_ACCESSION>
Glycerol-1-phosphate

> <WIKIPEDIA_ACCESSION>
Glycerol_1-phosphate

> <PUBMED_CITATION>
1694860; 22770225; 29438107; 6083437

$$$$