Mrv0541 05061415012D          

 23 25  0  0  1  0            999 V2000
   13.8945   -1.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1043   -1.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2745   -3.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.3785   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1043   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3821   -2.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5977   -2.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250   -3.9311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8945   -0.6151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3821   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6714   -1.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9285   -3.1484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1893   -3.9311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6714   -0.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3821    0.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1534   -2.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7168   -4.6078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5409   -3.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -3.2656    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.8925   -3.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -2.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7092   -4.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5099   -4.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  1  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
  8 23  1  6  0  0  0
M  END
> <ID>
CHEBI:17202

> <NAME>
IMP

> <DEFINITION>
A purine ribonucleoside 5'-monophosphate having hypoxanthine as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43475; CHEBI:43418; CHEBI:43524; CHEBI:43528; CHEBI:43611; CHEBI:43563; CHEBI:47501; CHEBI:5849; CHEBI:12057; CHEBI:13372; CHEBI:14457; CHEBI:12063; CHEBI:13373; CHEBI:19271

> <SYNONYM>
ribosylhypoxanthine monophosphate; inosinic acid; Inosinic acid; Inosine monophosphate; Inosine 5'-phosphate; Inosine 5'-monophosphate; IMP; hypoxanthosine 5'-monophosphate; 5'-Inosinic acid; 5'-Inosine monophosphate; 5'-Inosinate; 5'-IMP; 2'-inosine-5'-monophosphate

> <IUPAC_NAME>
5'-inosinic acid

> <FORMULA>
C10H13N4O8P

> <MASS>
348.20600

> <MONOISOTOPIC_MASS>
348.04710

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O

> <INCHI>
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHIKEY>
GRSZFWQUAKGDAV-KQYNXXCUSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
630517

> <CAS_REGISTRY_NUMBER>
131-99-7

> <GMELIN_REGISTRY_NUMBER>
528845

> <REAXYS_REGISTRY_NUMBER>
630517

> <CHEMIDPLUS>
131-99-7

> <DRUGBANK_ACCESSION>
DB04566

> <KEGG_COMPOUND_ACCESSION>
C00130

> <KNAPSACK_ACCESSION>
C00007224

> <METACYC_ACCESSION>
IMP

> <PDBECHEM_ACCESSION>
IMP

> <WIKIPEDIA_ACCESSION>
Inosinic_acid

> <PUBMED_CITATION>
7877593

$$$$