Marvin  02050817012D          

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M  END
> <ID>
CHEBI:16837

> <NAME>
alpha-ribazole 5'-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12622; CHEBI:21797; CHEBI:45218; CHEBI:45255; CHEBI:45256; CHEBI:7355; CHEBI:30599

> <SYNONYM>
PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER; N(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole; N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole; ALPHA-RIBAZOLE-5'-PHOSPHATE; alpha-ribazole-5'-P; alpha-Ribazole 5'-phosphate; alpha-ribazole 5'-phosphate; 5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphate

> <IUPAC_NAME>
5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

> <FORMULA>
C14H19N2O7P

> <MASS>
358.28370

> <MONOISOTOPIC_MASS>
358.09299

> <CHARGE>
0

> <SMILES>
Cc1cc2ncn([C@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C

> <INCHI>
InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1

> <INCHIKEY>
ZMRGXEJKZPRBPJ-SYQHCUMBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
627989

> <CAS_REGISTRY_NUMBER>
975-91-7

> <CHEMIDPLUS>
975-91-7

> <DRUGBANK_ACCESSION>
DB02030

> <KEGG_COMPOUND_ACCESSION>
C04778

> <PDBECHEM_ACCESSION>
RBZ

$$$$