Mrv0541 02061410332D          

 16 17  0  0  0  0            999 V2000
   19.3839   -7.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6695   -7.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6695   -8.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3839   -8.7616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0984   -7.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8686   -7.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0984   -8.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9385   -8.5614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3878   -7.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3839   -6.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0984   -5.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0984   -5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8129   -4.6366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8129   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5274   -5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5274   -3.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  6  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 14 16  1  0  0  0  0
M  END
> <ID>
CHEBI:17874

> <NAME>
dihydrozeatin

> <DEFINITION>
A 6-alkylaminopurine that is 7H-purin-6-amine where one of the hydrogens of the amino group is replaced by a 4-hydroxy-3-methylbutyl group. It is an intermediate in the zeatin biosynthesis.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4596; CHEBI:14165; CHEBI:23794

> <SYNONYM>
N(6)-(4-hydroxyisopentanyl)adenine; N6-(4-Hydroxyisopentanyl)adenine; dihydrozeatin; Dihydrozeatin; 2-methyl-4-(9H-purin-6-ylamino)butan-1-ol; 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol

> <IUPAC_NAME>
(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol

> <FORMULA>
C10H15N5O

> <MASS>
221.25900

> <MONOISOTOPIC_MASS>
221.12766

> <CHARGE>
0

> <SMILES>
C[C@@H](CO)CCNc1ncnc2nc[nH]c12

> <INCHI>
InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1

> <INCHIKEY>
XXFACTAYGKKOQB-SSDOTTSWSA-N

> <CAS_REGISTRY_NUMBER>
23599-75-9

> <REAXYS_REGISTRY_NUMBER>
1215977

> <CHEMIDPLUS>
23599-75-9

> <HMDB_ACCESSION>
HMDB0012215

> <KEGG_COMPOUND_ACCESSION>
C02029

> <KNAPSACK_ACCESSION>
C00000093

> <METACYC_ACCESSION>
CPD-332

> <PDBECHEM_ACCESSION>
WA2

> <PUBMED_CITATION>
20488581; 22832308; 24325449

$$$$