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CHEBI:232181 - asparaginolithocholic acid

Default Structure
ChEBI IDCHEBI:232181
ChEBI Nameasparaginolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H46N2O5
Net Charge0
Average Mass490.685
Monoisotopic Mass490.34067
SMILESC[C@H](CCC(=O)N[C@@H](CC(N)=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/C28H46N2O5/c1-16(4-9-25(33)30-23(26(34)35)15-24(29)32)20-7-8-21-19-6-5-17-14-18(31)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23,31H,4-15H2,1-3H3,(H2,29,32)(H,30,33)(H,34,35)/t16-,17-,18-,19+,20-,21+,22+,23+,27+,28-/m1/s1
InChIKeyAJRMYQPBZONDNK-CNZWOIIDSA-N
ChEBI Ontology
Outgoing Relation(s)
asparaginolithocholic acid (CHEBI:232181) is a organic molecular entity (CHEBI:50860)