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CHEBI:232191 - leucinolithocholic acid

Default Structure
ChEBI IDCHEBI:232191
ChEBI Nameleucinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H51NO4
Net Charge0
Average Mass489.741
Monoisotopic Mass489.38181
SMILESCC(C)C[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO4/c1-18(2)16-26(28(34)35)31-27(33)11-6-19(3)23-9-10-24-22-8-7-20-17-21(32)12-14-29(20,4)25(22)13-15-30(23,24)5/h18-26,32H,6-17H2,1-5H3,(H,31,33)(H,34,35)/t19-,20-,21-,22+,23-,24+,25+,26+,29+,30-/m1/s1
InChIKeyBFPXGAHDBSKXFJ-FGUUPDTHSA-N
ChEBI Ontology
Outgoing Relation(s)
leucinolithocholic acid (CHEBI:232191) is a organic molecular entity (CHEBI:50860)