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CHEBI:232175 - histidinolithocholic acid

Default Structure
ChEBI IDCHEBI:232175
ChEBI Namehistidinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H47N3O4
Net Charge0
Average Mass513.723
Monoisotopic Mass513.35666
SMILESC[C@H](CCC(=O)N[C@@H](Cc1cncn1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C30H47N3O4/c1-18(4-9-27(35)33-26(28(36)37)15-20-16-31-17-32-20)23-7-8-24-22-6-5-19-14-21(34)10-12-29(19,2)25(22)11-13-30(23,24)3/h16-19,21-26,34H,4-15H2,1-3H3,(H,31,32)(H,33,35)(H,36,37)/t18-,19-,21-,22+,23-,24+,25+,26+,29+,30-/m1/s1
InChIKeyQRYCQXDRMGWBEF-SEGADCSLSA-N
ChEBI Ontology
Outgoing Relation(s)
histidinolithocholic acid (CHEBI:232175) is a organic molecular entity (CHEBI:50860)