Marvin  08011213122D          

  8  7  0  0  0  0            999 V2000
    6.5110   -7.6212    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2255   -8.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7966   -8.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0823   -8.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5110   -8.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9420   -8.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293   -9.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5273   -9.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  1   1   1
M  END
> <ID>
CHEBI:46097

> <NAME>
Htris

> <STAR>
3

> <SECONDARY_ID>
CHEBI:37213; CHEBI:46096

> <SYNONYM>
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL

> <IUPAC_NAME>
1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium

> <FORMULA>
C4H12NO3

> <MASS>
122.14300

> <MONOISOTOPIC_MASS>
122.08117

> <CHARGE>
1

> <SMILES>
[NH3+]C(CO)(CO)CO

> <INCHI>
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

> <INCHIKEY>
LENZDBCJOHFCAS-UHFFFAOYSA-O

> <GMELIN_REGISTRY_NUMBER>
1450818

> <PDBECHEM_ACCESSION>
TRS

$$$$