EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200821 - Microcystbiopterin B

ChEBI IDCHEBI:200821
ChEBI NameMicrocystbiopterin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23N5O8
Net Charge0
Average Mass413.387
Monoisotopic Mass413.15466
SMILESCO[C@@H]1[C@@H](O)[C@@H](O[C@@H](C)[C@H](O)c2cnc3nc(N)nc(=O)c3n2)O[C@H](CO)[C@H]1O
InChIInChI=1S/C16H23N5O8/c1-5(28-15-11(25)12(27-2)10(24)7(4-22)29-15)9(23)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
InChIKeyZQLTUOZZFIPZMO-DZFNSMJESA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (26804212)
ChEBI Ontology
Outgoing Relation(s)
Microcystbiopterin B (CHEBI:200821) is a biopterins (CHEBI:22881)
IUPAC Name 
2-amino-6-[(1R,2S)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-1-hydroxypropyl]-3H-pteridin-4-one
Manual XrefsDatabases
78443379ChemSpider