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CHEBI:208723 - Microcystbiopterin A

ChEBI IDCHEBI:208723
ChEBI NameMicrocystbiopterin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N5O8
Net Charge0
Average Mass441.441
Monoisotopic Mass441.18596
SMILESCO[C@@H]1[C@H](OC)[C@@H](O[C@@H](C)[C@H](O)c2cnc3nc(N)nc(=O)c3n2)O[C@H](CO)[C@H]1OC
InChIInChI=1S/C18H27N5O8/c1-7(11(25)8-5-20-15-10(21-8)16(26)23-18(19)22-15)30-17-14(29-4)13(28-3)12(27-2)9(6-24)31-17/h5,7,9,11-14,17,24-25H,6H2,1-4H3,(H3,19,20,22,23,26)/t7-,9+,11-,12+,13-,14-,17-/m0/s1
InChIKeyDGKUISNXCLDEPS-PJPSGOJHSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (26804212)
ChEBI Ontology
Outgoing Relation(s)
Microcystbiopterin A (CHEBI:208723) is a biopterins (CHEBI:22881)
IUPAC Name 
2-amino-6-[(1R,2S)-1-hydroxy-2-[(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxypropyl]-3H-pteridin-4-one
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78443426ChemSpider