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CHEBI:232213 - argininodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232213
ChEBI Nameargininodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H52N4O5
Net Charge0
Average Mass548.769
Monoisotopic Mass548.39377
SMILESC[C@H](CCC(=O)N[C@@H](CCCNC(=N)N)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/C30H52N4O5/c1-17(6-11-26(37)34-24(27(38)39)5-4-14-33-28(31)32)21-9-10-22-20-8-7-18-15-19(35)12-13-29(18,2)23(20)16-25(36)30(21,22)3/h17-25,35-36H,4-16H2,1-3H3,(H,34,37)(H,38,39)(H4,31,32,33)/t17-,18-,19-,20+,21-,22+,23+,24+,25+,29+,30-/m1/s1
InChIKeyODCMYURABUZDRD-HZPFSXGQSA-N
ChEBI Ontology
Outgoing Relation(s)
argininodeoxycholic acid (CHEBI:232213) is a organic molecular entity (CHEBI:50860)