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CHEBI:234456 - cholyl-L-tryptophan(1−)

ChEBI IDCHEBI:234456
ChEBI Namecholyl-L-tryptophan(1−)
Stars
ASCII Namecholyl-L-tryptophan(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of cholyl-L-tryptophan resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified20 June 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H49N2O6
Net Charge-1
Average Mass593.785
Monoisotopic Mass593.35961
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](Cc3cnc4ccccc34)C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C35H50N2O6/c1-19(8-11-31(41)37-28(33(42)43)14-20-18-36-27-7-5-4-6-23(20)27)24-9-10-25-32-26(17-30(40)35(24,25)3)34(2)13-12-22(38)15-21(34)16-29(32)39/h4-7,18-19,21-22,24-26,28-30,32,36,38-40H,8-17H2,1-3H3,(H,37,41)(H,42,43)/p-1/t19-,21+,22-,24-,25+,26+,28+,29-,30+,32+,34+,35-/m1/s1
InChIKeyUXWZMQPNSYWAHX-DMELVVMMSA-M
ChEBI Ontology
Outgoing Relation(s)
cholyl-L-tryptophan(1−) (CHEBI:234456) is a N-choloyl-L-α-amino acid anion (CHEBI:229709)
cholyl-L-tryptophan(1−) (CHEBI:234456) is a monocarboxylic acid anion (CHEBI:35757)
cholyl-L-tryptophan(1−) (CHEBI:234456) is conjugate base of cholyl-L-tryptophan (CHEBI:232263)
Incoming Relation(s)
cholyl-L-tryptophan (CHEBI:232263) is conjugate acid of cholyl-L-tryptophan(1−) (CHEBI:234456)
IUPAC Name 
(2S)-3-(1H-indol-3-yl)-2-[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]propanoate
Synonyms  Source
tryptophanocholic acid(1−)SUBMITTER
Trp-CA(1−)SUBMITTER
cholyl-tryptophan(1−)ChEBI
(2S)-3-(1H-indol-3-yl)-2-({(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoyl}amino)propanoateIUPAC
UniProt Name  Source
L-tryptophanocholateUniProt
Citations