EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214740 - Mycosporine-GABA

ChEBI IDCHEBI:214740
ChEBI NameMycosporine-GABA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19NO6
Net Charge0
Average Mass273.285
Monoisotopic Mass273.12124
SMILESCOC1=C(NCCCC(=O)O)C[C@](O)(CO)CC1=O
InChIInChI=1S/C12H19NO6/c1-19-11-8(13-4-2-3-10(16)17)5-12(18,7-14)6-9(11)15/h13-14,18H,2-7H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyPHMFQSVGWKFYII-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Nostoc commune (ncbitaxon:1178) - PubMed (25543549)
ChEBI Ontology
Outgoing Relation(s)
Mycosporine-GABA (CHEBI:214740) has functional parent γ-amino acid (CHEBI:33707)
Mycosporine-GABA (CHEBI:214740) is a organonitrogen compound (CHEBI:35352)
Mycosporine-GABA (CHEBI:214740) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]butanoic acid