KEGG   DRUG: CholineHelp
Entry
D07690                      Drug                                   

Name
Choline (DCF);
Choline ion;
Choline cation
Formula
C5H14NO
Exact mass
104.1075
Mol weight
104.1708
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00114
Efficacy
Choleretic
Other DBs
CAS: 62-49-7
PubChem: 96024459
ChEBI: 15354
ChEMBL: CHEMBL920
DrugBank: DB00122
PDB-CCD: CHT[PDBj]
LigandBox: D07690
NIKKAJI: J4.822D
LinkDB All DBs
KCF data Show

ATOM        7
            1   C1a C    21.7700  -18.6200
            2   N1d N    22.9600  -17.9200 #+
            3   C1b C    24.2200  -18.6200
            4   C1b C    25.4100  -17.9200
            5   O1a O    26.6000  -18.6200
            6   C1a C    22.9600  -16.5200
            7   C1a C    22.9600  -19.3200
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     2   7 1

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