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CHEBI:232250 - histidinocholic acid

Default Structure
ChEBI IDCHEBI:232250
ChEBI Namehistidinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H47N3O6
Net Charge0
Average Mass545.721
Monoisotopic Mass545.34649
SMILESC[C@H](CCC(=O)N[C@@H](Cc1cncn1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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)/t16-,17+,19-,20-,21+,22+,23+,24-,25+,27+,29+,30-/m1/s1
InChIKeyGOBIDZCUVCOUAI-YJZFKLOMSA-N
ChEBI Ontology
Outgoing Relation(s)
histidinocholic acid (CHEBI:232250) is a organic molecular entity (CHEBI:50860)