Mrv0541 12031314022D          

 16 15  0  0  1  0            999 V2000
    9.0790   -4.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5080   -4.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3594   -3.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2171   -3.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6397   -4.3785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9282   -4.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9200   -3.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6397   -5.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6409   -4.0067    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2004   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3549   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6409   -3.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7913   -3.9650    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.7869   -3.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7913   -4.7900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3553   -3.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13  2  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  CHG  2   9   1  15  -1
M  END
> <ID>
CHEBI:16870

> <NAME>
choline alfoscerate

> <DEFINITION>
A member of the class of phosphocholines that is the choline ester of sn-glycero-3-phosphate. It is one of the major osmolyte in the renal medullary cells.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:76433; CHEBI:41458; CHEBI:10646; CHEBI:12847; CHEBI:12841; CHEBI:26697; CHEBI:55397; CHEBI:14343

> <SYNONYM>
sn-glycerol 3-phosphocholine; sn-glycero-3-phosphocholine; sn-glycero-3-phosphocholine; sn-Glycero-3-phosphocholine; sn-3-GPC; L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerophosphocholine; GPCho; Glycerophosphorylcholine; Glycerophosphocholine; Glycerophosphocholine; Glycerophosphocholine; Glycerophosphate de choline; glycerol-3-phosphocholine; Glycerol-3-phosphatidylcholine; Glycerol phosphorylcholine; Glicerofosfato de colina; Cholini glycerophosphas; Choline glycerophosphate; Choline alphoscerate; alpha-Glycerophosphorylcholine; (2R)-2,3-dihydroxypropyl 2-(trimethylammonio)ethyl phosphate

> <IUPAC_NAME>
2-{[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium; (2R)-2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate

> <INN>
cholini alfosceras; choline alfoscerate; choline alfoscerate; alfoscerato de colina; alfoscerate de choline

> <FORMULA>
C8H20NO6P

> <MASS>
257.22130

> <MONOISOTOPIC_MASS>
257.10282

> <CHARGE>
0

> <SMILES>
C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO

> <INCHI>
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1

> <INCHIKEY>
SUHOQUVVVLNYQR-MRVPVSSYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6062450

> <CAS_REGISTRY_NUMBER>
28319-77-9

> <REAXYS_REGISTRY_NUMBER>
3908444

> <CHEMIDPLUS>
28319-77-9

> <DRUGBANK_ACCESSION>
DB04660

> <KEGG_COMPOUND_ACCESSION>
C00670

> <KEGG_DRUG_ACCESSION>
D07349

> <METACYC_ACCESSION>
L-1-GLYCERO-PHOSPHORYLCHOLINE

> <PDBECHEM_ACCESSION>
CH5

> <WIKIPEDIA_ACCESSION>
Alpha-GPC

> <PUBMED_CITATION>
21165396; 21195433; 22191561; 22677751; 22679745; 22959283; 23244432; 23268258; 23314552; 23387341; 23528493; 24156263; 24166560; 23013274; 6420466

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