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CHEBI:229714 - L-phenylalanocholate

ChEBI IDCHEBI:229714
ChEBI NameL-phenylalanocholate
Stars
ASCII NameL-phenylalanocholate
Last Modified5 March 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC33H48NO6
Net Charge-1
Average Mass554.748
Monoisotopic Mass554.34871
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C33H49NO6/c1-19(9-12-29(38)34-26(31(39)40)15-20-7-5-4-6-8-20)23-10-11-24-30-25(18-28(37)33(23,24)3)32(2)14-13-22(35)16-21(32)17-27(30)36/h4-8,19,21-28,30,35-37H,9-18H2,1-3H3,(H,34,38)(H,39,40)/p-1/t19-,21+,22-,23-,24+,25+,26+,27-,28+,30+,32+,33-/m1/s1
InChIKeyIQKZHEVJCMKOED-RYHSAYMFSA-M
ChEBI Ontology
Outgoing Relation(s)
L-phenylalanocholate (CHEBI:229714) is a N-choloyl-L-α-amino acid anion (CHEBI:229709)
Synonyms  Source
N-choloyl-L-penylalanine(1−)SUBMITTER
PheCASUBMITTER
UniProt Name  Source
L-phenylalanocholateUniProt
Citations