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CHEBI:232185 - alaninolithocholic acid

Default Structure
ChEBI IDCHEBI:232185
ChEBI Namealaninolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H45NO4
Net Charge0
Average Mass447.660
Monoisotopic Mass447.33486
SMILESC[C@H](NC(=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]3CC[C@]12C)C(=O)O
InChIInChI=1S/C27H45NO4/c1-16(5-10-24(30)28-17(2)25(31)32)21-8-9-22-20-7-6-18-15-19(29)11-13-26(18,3)23(20)12-14-27(21,22)4/h16-23,29H,5-15H2,1-4H3,(H,28,30)(H,31,32)/t16-,17+,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
InChIKeyQHTTURBEVRCUOI-JFCMIJDJSA-N
ChEBI Ontology
Outgoing Relation(s)
alaninolithocholic acid (CHEBI:232185) is a organic molecular entity (CHEBI:50860)