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CHEBI:183989 - (2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid

ChEBI IDCHEBI:183989
ChEBI Name(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid
Stars
ASCII Name(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO7
Net Charge0
Average Mass489.609
Monoisotopic Mass489.27265
SMILESCOC(/C=C/CC/C=C/C(=O)O)C(O)C(C)/C=C(C)/C=C(\C)C(=O)CCCC1CC(=O)NC(=O)C1
InChIInChI=1S/C27H39NO7/c1-18(14-19(2)22(29)11-9-10-21-16-24(30)28-25(31)17-21)15-20(3)27(34)23(35-4)12-7-5-6-8-13-26(32)33/h7-8,12-15,20-21,23,27,34H,5-6,9-11,16-17H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,18-15+,19-14+
InChIKeySLGMSTJSVRGVPB-BESLVFPPSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid (CHEBI:183989) is a hydroxy monocarboxylic acid (CHEBI:35868)
(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid (CHEBI:183989) is a methyl-branched fatty acid (CHEBI:62499)
(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid (CHEBI:183989) is a piperidones (CHEBI:48589)
IUPAC Name 
(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid
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