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CHEBI:207629 - Microcystbiopterin D

ChEBI IDCHEBI:207629
ChEBI NameMicrocystbiopterin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25N5O9
Net Charge0
Average Mass443.413
Monoisotopic Mass443.16523
SMILESCO[C@@H]1[C@H](O)[C@@H](O[C@@H](C)[C@H](O)c2cnc3nc(N)nc(=O)c3n2)O[C@H](C(O)CO)[C@H]1O
InChIInChI=1S/C17H25N5O9/c1-5(9(25)6-3-19-14-8(20-6)15(28)22-17(18)21-14)30-16-11(27)13(29-2)10(26)12(31-16)7(24)4-23/h3,5,7,9-13,16,23-27H,4H2,1-2H3,(H3,18,19,21,22,28)/t5-,7?,9-,10+,11-,12+,13-,16-/m0/s1
InChIKeyGZGGCZMRCDEKCK-NEWBKQJXSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (26804212)
ChEBI Ontology
Outgoing Relation(s)
Microcystbiopterin D (CHEBI:207629) is a biopterins (CHEBI:22881)
IUPAC Name 
2-amino-6-[(1R,2S)-2-[(2S,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-1-hydroxypropyl]-3H-pteridin-4-one
Manual XrefsDatabases
78443411ChemSpider