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CHEBI:218697 - (E)-4-[(1R,2S)-3-[(E)-hept-1-enyl]-1,2-dihydroxy-4-(hydroxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylbut-2-enoic acid

ChEBI IDCHEBI:218697
ChEBI Name(E)-4-[(1R,2S)-3-[(E)-hept-1-enyl]-1,2-dihydroxy-4-(hydroxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylbut-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O6
Net Charge0
Average Mass352.427
Monoisotopic Mass352.18859
SMILESCCCCC/C=C/C1=C(CO)C(=O)C[C@](O)(C/C=C(\C)C(=O)O)[C@H]1O
InChIInChI=1S/C19H28O6/c1-3-4-5-6-7-8-14-15(12-20)16(21)11-19(25,17(14)22)10-9-13(2)18(23)24/h7-9,17,20,22,25H,3-6,10-12H2,1-2H3,(H,23,24)/b8-7+,13-9+/t17-,19+/m0/s1
InChIKeyURCJGSIEVALIMC-SJCXCURWSA-N
Species of MetaboliteComponentSourceComments
Multiclavulaspecies (ncbitaxon:2506259) - PubMed (19117486)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-4-[(1R,2S)-3-[(E)-hept-1-enyl]-1,2-dihydroxy-4-(hydroxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylbut-2-enoic acid (CHEBI:218697) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
(E)-4-[(1R,2S)-3-[(E)-hept-1-enyl]-1,2-dihydroxy-4-(hydroxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylbut-2-enoic acid
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