Marvin  01041117052D          

 20 22  0  0  1  0            999 V2000
   17.6170  -38.1306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.6170  -37.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9496  -38.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2845  -38.6156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3315  -36.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9026  -36.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2045  -39.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0295  -39.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9697  -38.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3315  -36.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0460  -37.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9026  -36.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6735  -39.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6170  -35.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7196  -40.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0552  -40.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6170  -34.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4223  -39.4012    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.9491  -40.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0982  -38.8446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 15  1  1  0  0  0
  8 13  1  6  0  0  0
 10 14  2  0  0  0  0
 14 17  1  0  0  0  0
  7  8  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <ID>
CHEBI:27652

> <NAME>
2',3'-cyclic CMP

> <DEFINITION>
A 2',3'-cyclic pyrimidine nucleotide in which cytidine is the parent nucleoside.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19213; CHEBI:824

> <SYNONYM>
Citidine cyclic 2',3'-(hydrogen phosphate); Cifostodine; cCMP; 2',3'-Cyclic CMP

> <IUPAC_NAME>
cytidine 2',3'-(hydrogen phosphate)

> <INN>
cifostodinum; cifostodine; cifostodina

> <FORMULA>
C9H12N3O7P

> <MASS>
305.18120

> <MONOISOTOPIC_MASS>
305.04129

> <CHARGE>
0

> <SMILES>
Nc1ccn([C@@H]2O[C@H](CO)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)n1

> <INCHI>
InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1

> <INCHIKEY>
NMPZCCZXCOMSDQ-XVFCMESISA-N

> <CAS_REGISTRY_NUMBER>
633-90-9

> <REAXYS_REGISTRY_NUMBER>
46029

> <CHEMIDPLUS>
633-90-9

> <KEGG_COMPOUND_ACCESSION>
C02354

> <METACYC_ACCESSION>
CPD-3713

> <PUBMED_CITATION>
21988831

$$$$