Marvin  06191211122D          

 21 21  0  0  1  0            999 V2000
   11.2292   -4.0114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5149   -4.4238    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5149   -5.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2292   -5.6614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9437   -5.2489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9437   -4.4238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2292   -3.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6582   -4.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6582   -5.6613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8002   -5.6613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8002   -4.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -6.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0859   -4.4238    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714   -4.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6569   -4.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0859   -5.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0859   -3.5988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425   -4.0115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2280   -4.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5135   -4.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425   -3.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  6  0  0  0
  6  8  1  1  0  0  0
  5  9  1  6  0  0  0
  3 10  1  1  0  0  0
  2 11  1  1  0  0  0
  4 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  1  0  0  0
M  END
> <ID>
CHEBI:18321

> <NAME>
1-(sn-glycero-3-phospho)-1D-myo-inositol

> <DEFINITION>
A myo-inositol monophosphate derivative that is 1D-myo-inositol substituted at position 1 by an sn-glycero-3-phospho group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:26695; CHEBI:10645; CHEBI:11200

> <SYNONYM>
sn-glycero-3-Phospho-1-inositol; GroPIns; Glyerophosphoinositol; 3-Phosphoglyceroinositol; 1-(sn-glycero-3-phospho)-1D-myo-inositol; 1-(sn-glycero-3-Phospho)-1D-myo-inositol

> <IUPAC_NAME>
1D-myo-inositol 1-[(2R)-2,3-dihydroxypropyl hydrogen phosphate]

> <FORMULA>
C9H19O11P

> <MASS>
334.21430

> <MONOISOTOPIC_MASS>
334.06650

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1

> <INCHIKEY>
BMVUIWJCUQSHLZ-UJGXJMNGSA-N

> <REAXYS_REGISTRY_NUMBER>
3219210

> <KEGG_COMPOUND_ACCESSION>
C01225

> <METACYC_ACCESSION>
CPD-541

$$$$