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CHEBI:232179 - serinolithocholic acid

Default Structure
ChEBI IDCHEBI:232179
ChEBI Nameserinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H45NO5
Net Charge0
Average Mass463.659
Monoisotopic Mass463.32977
SMILESC[C@H](CCC(=O)N[C@@H](CO)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/C27H45NO5/c1-16(4-9-24(31)28-23(15-29)25(32)33)20-7-8-21-19-6-5-17-14-18(30)10-12-26(17,2)22(19)11-13-27(20,21)3/h16-23,29-30H,4-15H2,1-3H3,(H,28,31)(H,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1
InChIKeyXIDPLSVCKATVQF-IOJOMAJISA-N
ChEBI Ontology
Outgoing Relation(s)
serinolithocholic acid (CHEBI:232179) is a organic molecular entity (CHEBI:50860)