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CHEBI:229710 - L-alanocholate

ChEBI IDCHEBI:229710
ChEBI NameL-alanocholate
Stars
ASCII NameL-alanocholate
Last Modified5 March 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC27H44NO6
Net Charge-1
Average Mass478.650
Monoisotopic Mass478.31741
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](C)C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H45NO6/c1-14(5-8-23(32)28-15(2)25(33)34)18-6-7-19-24-20(13-22(31)27(18,19)4)26(3)10-9-17(29)11-16(26)12-21(24)30/h14-22,24,29-31H,5-13H2,1-4H3,(H,28,32)(H,33,34)/p-1/t14-,15+,16+,17-,18-,19+,20+,21-,22+,24+,26+,27-/m1/s1
InChIKeyAZWGEBXBDOIOHW-OKVQJXITSA-M
ChEBI Ontology
Outgoing Relation(s)
L-alanocholate (CHEBI:229710) is a N-choloyl-L-α-amino acid anion (CHEBI:229709)
Synonyms  Source
N-choloyl-L-alanine(1−)SUBMITTER
AlaCASUBMITTER
UniProt Name  Source
L-alanocholateUniProt
Citations