Ketcher 06141615092D 1   1.00000     0.00000     0

 34 35  0     1  0            999 V2000
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   19.7853   -2.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345   -1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345   -0.7047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0838   -2.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345   -3.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0838   -3.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2332   -3.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5759   -5.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7812   -4.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2724   -6.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7635   -6.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7989   -6.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  2  0     0  0
  3  2  1  0     0  0
  5  7  1  0     0  0
  7  6  1  0     0  0
  6  1  1  0     0  0
  1  2  2  0     0  0
  3  4  1  0     0  0
  7  8  2  0     0  0
 10 15  1  0     0  0
 10  9  1  0     0  0
 15 13  1  0     0  0
 13 11  1  0     0  0
 11  9  1  0     0  0
  9  6  1  1     0  0
 11 12  1  6     0  0
 13 14  1  6     0  0
 15 16  1  1     0  0
 16 17  1  0     0  0
 17 24  1  0     0  0
 24 18  1  0     0  0
 18 21  1  0     0  0
 21 19  1  0     0  0
 21 20  2  0     0  0
 21 22  1  0     0  0
 24 23  2  0     0  0
 24 25  1  0     0  0
 31 26  1  0     0  0
 27 26  1  0     0  0
 27 32  1  1     0  0
 28 27  1  0     0  0
 28 33  1  6     0  0
 29 28  1  0     0  0
 29 34  1  1     0  0
 30 29  1  0     0  0
 30 19  1  0     0  0
M  END
> <ID>
CHEBI:16022

> <NAME>
CDP-ribitol

> <DEFINITION>
A nucleotide-alditol having cytosine as the nucleobase and ribitol as the alditol portion.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13272; CHEBI:3273; CHEBI:20872

> <SYNONYM>
Cytidine diphosphate ribitol; Cytidine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribitol; CDPribitol; CDP-L-ribitol; Cdp ribitol; CDP 5-ester with D-ribitol

> <IUPAC_NAME>
cytidine 5'-{3-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}

> <FORMULA>
C14H25N3O15P2

> <MASS>
537.308

> <MONOISOTOPIC_MASS>
537.07609

> <CHARGE>
0

> <SMILES>
C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(OC[C@H]([C@H]([C@H](CO)O)O)O)(=O)O)(=O)O

> <INCHI>
InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1

> <INCHIKEY>
DPJKHFICSGCNIR-HRENORGGSA-N

> <CAS_REGISTRY_NUMBER>
3506-17-0

> <CHEMIDPLUS>
3506-17-0

> <KEGG_COMPOUND_ACCESSION>
C00789

> <METACYC_ACCESSION>
CPD-1111

$$$$