EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232214 - histidinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232214
ChEBI Namehistidinodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H47N3O5
Net Charge0
Average Mass529.722
Monoisotopic Mass529.35157
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]3C[C@H](O)[C@]12C
InChIInChI=1S/C30H47N3O5/c1-17(4-9-27(36)33-25(28(37)38)13-19-15-31-16-32-19)22-7-8-23-21-6-5-18-12-20(34)10-11-29(18,2)24(21)14-26(35)30(22,23)3/h15-18,20-26,34-35H,4-14H2,1-3H3,(H,31,32)(H,33,36)(H,37,38)/t17-,18-,20-,21+,22-,23+,24+,25+,26+,29+,30-/m1/s1
InChIKeyHSUNTEFOMSKZCT-UFYMIWRUSA-N
ChEBI Ontology
Outgoing Relation(s)
histidinodeoxycholic acid (CHEBI:232214) is a organic molecular entity (CHEBI:50860)