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CHEBI:232269 - argininoursodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232269
ChEBI Nameargininoursodeoxycholic 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]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C30H52N4O5/c1-17(6-9-25(37)34-23(27(38)39)5-4-14-33-28(31)32)20-7-8-21-26-22(11-13-30(20,21)3)29(2)12-10-19(35)15-18(29)16-24(26)36/h17-24,26,35-36H,4-16H2,1-3H3,(H,34,37)(H,38,39)(H4,31,32,33)/t17-,18+,19-,20-,21+,22+,23+,24+,26+,29+,30-/m1/s1
InChIKeyIGVZUMPVFZKTRH-QCFKXZTJSA-N
ChEBI Ontology
Outgoing Relation(s)
argininoursodeoxycholic acid (CHEBI:232269) is a organic molecular entity (CHEBI:50860)