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CHEBI:94975 - LSM-6196

ChEBI IDCHEBI:94975
ChEBI NameLSM-6196
Stars
DownloadsMolfile
FormulaC21H39NO6
Net Charge0
Average Mass401.544
Monoisotopic Mass401.27774
SMILESCCCCCCC(=O)CCCCCCC=CC[C@H](O)[C@@H](O)C(N)(CO)C(=O)O
InChIInChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/t18-,19+,21?/m0/s1
InChIKeyZZIKIHCNFWXKDY-KTVLMBSMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-6196 (CHEBI:94975) is a long-chain fatty acid (CHEBI:15904)
Manual XrefsDatabases
LSM-6196LINCS