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CHEBI:232287 - lysinoursodeoxycholic acid dimer

Default Structure
ChEBI IDCHEBI:232287
ChEBI Namelysinoursodeoxycholic acid dimer
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC54H89NO9
Net Charge0
Average Mass896.304
Monoisotopic Mass895.65373
SMILESC[C@H](CCC(=O)NCCCC[C@H](OC(=O)CC[C@@H](C)[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)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/C54H89NO9/c1-31(37-12-14-39-48-41(20-24-53(37,39)5)51(3)22-18-35(56)27-33(51)29-43(48)58)10-16-46(60)55-26-8-7-9-45(50(62)63)64-47(61)17-11-32(2)38-13-15-40-49-42(21-25-54(38,40)6)52(4)23-19-36(57)28-34(52)30-44(49)59/h31-45,48-49,56-59H,7-30H2,1-6H3,(H,55,60)(H,62,63)/t31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,48+,49+,51+,52+,53-,54-/m1/s1
InChIKeyAOHUOWSPJVJYSX-WBUWVQLZSA-N
ChEBI Ontology
Outgoing Relation(s)
lysinoursodeoxycholic acid dimer (CHEBI:232287) is a organic molecular entity (CHEBI:50860)