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CHEBI:232178 - aspartylolithocholic acid

Default Structure
ChEBI IDCHEBI:232178
ChEBI Nameaspartylolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H45NO6
Net Charge0
Average Mass491.669
Monoisotopic Mass491.32469
SMILESC[C@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H45NO6/c1-16(4-9-24(31)29-23(26(34)35)15-25(32)33)20-7-8-21-19-6-5-17-14-18(30)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23,30H,4-15H2,1-3H3,(H,29,31)(H,32,33)(H,34,35)/t16-,17-,18-,19+,20-,21+,22+,23+,27+,28-/m1/s1
InChIKeyKCGMIQQXZFFRLL-CNZWOIIDSA-N
ChEBI Ontology
Outgoing Relation(s)
aspartylolithocholic acid (CHEBI:232178) is a organic molecular entity (CHEBI:50860)