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CHEBI:232230 - lysinodeoxycholic acid dimer

Default Structure
ChEBI IDCHEBI:232230
ChEBI Namelysinodeoxycholic 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]3CC[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]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C54H89NO9/c1-31(39-16-18-41-37-14-12-33-27-35(56)22-24-51(33,3)43(37)29-46(58)53(39,41)5)10-20-48(60)55-26-8-7-9-45(50(62)63)64-49(61)21-11-32(2)40-17-19-42-38-15-13-34-28-36(57)23-25-52(34,4)44(38)30-47(59)54(40,42)6/h31-47,56-59H,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+,46+,47+,51+,52+,53-,54-/m1/s1
InChIKeyDPNPQZPMTPZKMI-ZCKSGTHTSA-N
ChEBI Ontology
Outgoing Relation(s)
lysinodeoxycholic acid dimer (CHEBI:232230) is a organic molecular entity (CHEBI:50860)