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CHEBI:232228 - leucinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232228
ChEBI Nameleucinodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H51NO5
Net Charge0
Average Mass505.740
Monoisotopic Mass505.37672
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]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C30H51NO5/c1-17(2)14-25(28(35)36)31-27(34)11-6-18(3)22-9-10-23-21-8-7-19-15-20(32)12-13-29(19,4)24(21)16-26(33)30(22,23)5/h17-26,32-33H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t18-,19-,20-,21+,22-,23+,24+,25+,26+,29+,30-/m1/s1
InChIKeyRKYMGSQLTHKABZ-DTHHIQQKSA-N
ChEBI Ontology
Outgoing Relation(s)
leucinodeoxycholic acid (CHEBI:232228) is a organic molecular entity (CHEBI:50860)