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CHEBI:221724 - Mycosporine-ornithine

ChEBI IDCHEBI:221724
ChEBI NameMycosporine-ornithine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N2O6
Net Charge0
Average Mass302.327
Monoisotopic Mass302.14779
SMILESCOC1=C(NCCCC(N)C(=O)O)CC(O)(CO)CC1=O
InChIInChI=1S/C13H22N2O6/c1-21-11-9(5-13(20,7-16)6-10(11)17)15-4-2-3-8(14)12(18)19/h8,15-16,20H,2-7,14H2,1H3,(H,18,19)
InChIKeyAERJYLRVJRRKIZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (19691450)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mycosporine-ornithine (CHEBI:221724) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-amino-5-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid