Marvin  11021115372D          

 12 11  0  0  0  0            999 V2000
   -0.2230    1.5063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520    1.5063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954    1.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5099    1.5063    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2243    1.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    2.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7234    0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9388    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <ID>
CHEBI:17175

> <NAME>
guanidinoethyl methyl phosphate

> <DEFINITION>
An organic phosphate that consists of phosphoethanolamine bearing N-amidino and O-methyl substituents.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5561; CHEBI:14370; CHEBI:24441

> <SYNONYM>
Guanidinoethyl methyl phosphate

> <IUPAC_NAME>
2-(carbamimidamido)ethyl methyl hydrogen phosphate

> <FORMULA>
C4H12N3O4P

> <MASS>
197.12950

> <MONOISOTOPIC_MASS>
197.05654

> <CHARGE>
0

> <SMILES>
COP(O)(=O)OCCNC(N)=N

> <INCHI>
InChI=1S/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)

> <INCHIKEY>
PTALSLHNZQRENZ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2692661

> <KEGG_COMPOUND_ACCESSION>
C04071

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