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CHEBI:229712 - L-histidocholate

ChEBI IDCHEBI:229712
ChEBI NameL-histidocholate
Stars
ASCII NameL-histidocholate
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC30H46N3O6
Net Charge-1
Average Mass544.713
Monoisotopic Mass544.33921
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](Cc3cncn3)C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C30H47N3O6/c1-16(4-7-26(37)33-23(28(38)39)12-18-14-31-15-32-18)20-5-6-21-27-22(13-25(36)30(20,21)3)29(2)9-8-19(34)10-17(29)11-24(27)35/h14-17,19-25,27,34-36H,4-13H2,1-3H3,(H,31,32)(H,33,37)(H,38,39)/p-1/t16-,17+,19-,20-,21+,22+,23+,24-,25+,27+,29+,30-/m1/s1
InChIKeyGOBIDZCUVCOUAI-YJZFKLOMSA-M
ChEBI Ontology
Outgoing Relation(s)
L-histidocholate (CHEBI:229712) is a N-choloyl-L-α-amino acid anion (CHEBI:229709)
Synonyms  Source
N-choloyl-L-histidine(1−)SUBMITTER
HisCASUBMITTER
UniProt Name  Source
L-histidocholateUniProt
Citations