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CHEBI:177643 - AL 8810

ChEBI IDCHEBI:177643
ChEBI NameAL 8810
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31FO4
Net Charge0
Average Mass402.506
Monoisotopic Mass402.22064
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O
InChIInChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1
InChIKeyWTYSXBKKVNOOIX-JTGCGUAKSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
AL 8810 (CHEBI:177643) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-luoro-5-hydroxycyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
4470757ChemSpider
Registry NumbersSources
CAS:246246-19-5ChemIDplus