CHEBI:227034 - Neplanocin A

ChEBI IDCHEBI:227034
ChEBI NameNeplanocin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13N5O3
Net Charge0
Average Mass263.257
Monoisotopic Mass263.10184
SMILESNc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
InChIKeyXUGWUUDOWNZAGW-VDAHYXPESA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (7275815)
ChEBI Ontology
Outgoing Relation(s)
Neplanocin A (CHEBI:227034) is a nucleoside analogue (CHEBI:60783)
Neplanocin A (CHEBI:227034) is a purines (CHEBI:26401)
IUPAC Name 
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Manual XrefsDatabases
6OSPDBeChem
65784ChemSpider