EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229713 - L-arginocholate

ChEBI IDCHEBI:229713
ChEBI NameL-arginocholate
Stars
ASCII NameL-arginocholate
Last Modified5 March 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC30H52N4O6
Net Charge0
Average Mass564.768
Monoisotopic Mass564.38869
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](CCCNC(N)=[NH2+])C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C30H52N4O6/c1-16(6-9-25(38)34-22(27(39)40)5-4-12-33-28(31)32)19-7-8-20-26-21(15-24(37)30(19,20)3)29(2)11-10-18(35)13-17(29)14-23(26)36/h16-24,26,35-37H,4-15H2,1-3H3,(H,34,38)(H,39,40)(H4,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,23-,24+,26+,29+,30-/m1/s1
InChIKeyVFJSXFXCQQBGTM-PUSGEFJRSA-N
ChEBI Ontology
Outgoing Relation(s)
L-arginocholate (CHEBI:229713) is a N-choloyl-L-α-amino acid anion (CHEBI:229709)
Synonyms  Source
N-choloyl-L-arginineSUBMITTER
ArgCASUBMITTER
UniProt Name  Source
L-arginocholateUniProt
Citations