KEGG   COMPOUND: C19331Help
Entry
C19331                      Compound                               

Name
Arsenobetaine
Formula
C5H11AsO2
Exact mass
177.9975
Mol weight
178.0612
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19331  Arsenobetaine
BRITE hierarchy
Other DBs
CAS: 64436-13-1
PubChem: 124490003
ChEBI: 82392
ChEMBL: CHEMBL2448348
KNApSAcK: C00033652
PDB-CCD: 3Q7[PDBj]
KCF data Show

ATOM        8
            1   Z   As   16.2400  -15.8200 #+
            2   C1b C    17.8024  -16.5200
            3   C6a C    18.8749  -15.8200
            4   O6a O    20.0873  -16.5200 #-
            5   O6a O    18.8749  -14.4202
            6   C1a C    15.0276  -15.1200
            7   C1a C    16.9820  -14.4928
            8   C1a C    15.4980  -17.0072
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     1   6 1
            6     1   7 1
            7     1   8 1

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