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CHEBI:232265 - leucinocholic acid

Default Structure
ChEBI IDCHEBI:232265
ChEBI Nameleucinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H51NO6
Net Charge0
Average Mass521.739
Monoisotopic Mass521.37164
SMILESCC(C)C[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO6/c1-16(2)12-23(28(36)37)31-26(35)9-6-17(3)20-7-8-21-27-22(15-25(34)30(20,21)5)29(4)11-10-19(32)13-18(29)14-24(27)33/h16-25,27,32-34H,6-15H2,1-5H3,(H,31,35)(H,36,37)/t17-,18+,19-,20-,21+,22+,23+,24-,25+,27+,29+,30-/m1/s1
InChIKeyLZFOJLAZIRIBIG-PJGKWPCRSA-N
ChEBI Ontology
Outgoing Relation(s)
leucinocholic acid (CHEBI:232265) is a organic molecular entity (CHEBI:50860)