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CHEBI:202473 - Microcystbiopterin E

ChEBI IDCHEBI:202473
ChEBI NameMicrocystbiopterin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23N5O8
Net Charge0
Average Mass413.387
Monoisotopic Mass413.15466
SMILESCOC[C@H]1O[C@H](O[C@@H](C)[C@H](O)c2cnc3nc(N)nc(=O)c3n2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H23N5O8/c1-5(28-15-12(25)11(24)10(23)7(29-15)4-27-2)9(22)6-3-18-13-8(19-6)14(26)21-16(17)20-13/h3,5,7,9-12,15,22-25H,4H2,1-2H3,(H3,17,18,20,21,26)/t5-,7+,9-,10+,11-,12+,15-/m0/s1
InChIKeyCARGJJGBCUDXAL-WOUHNLLESA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (26804212)
ChEBI Ontology
Outgoing Relation(s)
Microcystbiopterin E (CHEBI:202473) is a biopterins (CHEBI:22881)
IUPAC Name 
2-amino-6-[(1R,2S)-1-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxypropyl]-3H-pteridin-4-one
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78443386ChemSpider