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CHEBI:232192 - phenylalaninolithocholic acid

Default Structure
ChEBI IDCHEBI:232192
ChEBI Namephenylalaninolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H49NO4
Net Charge0
Average Mass523.758
Monoisotopic Mass523.36616
SMILESC[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
InChIKeyGGPBIPRBYWGMTR-LTVMZZGSSA-N
ChEBI Ontology
Outgoing Relation(s)
phenylalaninolithocholic acid (CHEBI:232192) is a organic molecular entity (CHEBI:50860)