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CHEBI:232215 - asparaginodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232215
ChEBI Nameasparaginodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H46N2O6
Net Charge0
Average Mass506.684
Monoisotopic Mass506.33559
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]3C[C@H](O)[C@]12C
InChIInChI=1S/C28H46N2O6/c1-15(4-9-25(34)30-22(26(35)36)14-24(29)33)19-7-8-20-18-6-5-16-12-17(31)10-11-27(16,2)21(18)13-23(32)28(19,20)3/h15-23,31-32H,4-14H2,1-3H3,(H2,29,33)(H,30,34)(H,35,36)/t15-,16-,17-,18+,19-,20+,21+,22+,23+,27+,28-/m1/s1
InChIKeyKRBJOAIDSTYRMG-NNXRQJHTSA-N
ChEBI Ontology
Outgoing Relation(s)
asparaginodeoxycholic acid (CHEBI:232215) is a organic molecular entity (CHEBI:50860)