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CHEBI:217053 - Collimonin A

ChEBI IDCHEBI:217053
ChEBI NameCollimonin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESC#CC#CC#C/C=C\[C@@H](O)[C@@H]1O[C@H]1[C@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C16H14O5/c1-2-3-4-5-6-7-8-11(17)15-16(21-15)14(19)12-9-10-13(18)20-12/h1,7-8,11-12,14-17,19H,9-10H2/b8-7-/t11-,12+,14-,15+,16+/m1/s1
InChIKeyWXWUUBHVPFQANA-HVBFKWMQSA-N
Species of MetaboliteComponentSourceComments
Collimonas fungivorans Ter331 (ncbitaxon:1005048) - PubMed (29792438)
ChEBI Ontology
Outgoing Relation(s)
Collimonin A (CHEBI:217053) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(5S)-5-[(R)-hydroxy-[(2S,3S)-3-[(Z,1R)-1-hydroxynon-2-en-4,6,8-triynyl]oxiran-2-yl]methyl]oxolan-2-one
Manual XrefsDatabases
78439360ChemSpider