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CHEBI:232267 - lysinocholic acid dimer

Default Structure
ChEBI IDCHEBI:232267
ChEBI Namelysinocholic acid dimer
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC54H89NO11
Net Charge0
Average Mass928.302
Monoisotopic Mass927.64356
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]3C[C@H](O)[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]3C[C@H](O)[C@]12C
InChIInChI=1S/C54H89NO11/c1-29(35-12-14-37-48-39(27-44(60)53(35,37)5)51(3)20-18-33(56)23-31(51)25-41(48)58)10-16-46(62)55-22-8-7-9-43(50(64)65)66-47(63)17-11-30(2)36-13-15-38-49-40(28-45(61)54(36,38)6)52(4)21-19-34(57)24-32(52)26-42(49)59/h29-45,48-49,56-61H,7-28H2,1-6H3,(H,55,62)(H,64,65)/t29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+,48+,49+,51+,52+,53-,54-/m1/s1
InChIKeyRTMABQRAXDMMGL-DTZJROAFSA-N
ChEBI Ontology
Outgoing Relation(s)
lysinocholic acid dimer (CHEBI:232267) is a organic molecular entity (CHEBI:50860)