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CHEBI:213409 - Palythinol

ChEBI IDCHEBI:213409
ChEBI NamePalythinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N2O6
Net Charge0
Average Mass302.327
Monoisotopic Mass302.14779
SMILESCOC1=C(NC(C)CO)CC(O)(CO)CC1=NCC(=O)O
InChIInChI=1S/C13H22N2O6/c1-8(6-16)15-10-4-13(20,7-17)3-9(12(10)21-2)14-5-11(18)19/h8,15-17,20H,3-7H2,1-2H3,(H,18,19)
InChIKeyHWSJJSITUUMTSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (26099286)
ChEBI Ontology
Outgoing Relation(s)
Palythinol (CHEBI:213409) has functional parent α-amino acid (CHEBI:33704)
Palythinol (CHEBI:213409) is a organonitrogen compound (CHEBI:35352)
Palythinol (CHEBI:213409) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[[5-hydroxy-5-(hydroxymethyl)-3-(1-hydroxypropan-2-ylamino)-2-methoxycyclohex-2-en-1-ylidene]amino]acetic acid