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CHEBI:232221 - alaninodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232221
ChEBI Namealaninodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H45NO5
Net Charge0
Average Mass463.659
Monoisotopic Mass463.32977
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]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C27H45NO5/c1-15(5-10-24(31)28-16(2)25(32)33)20-8-9-21-19-7-6-17-13-18(29)11-12-26(17,3)22(19)14-23(30)27(20,21)4/h15-23,29-30H,5-14H2,1-4H3,(H,28,31)(H,32,33)/t15-,16+,17-,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1
InChIKeyUUMHESNLNMWIQK-OPUASHEASA-N
ChEBI Ontology
Outgoing Relation(s)
alaninodeoxycholic acid (CHEBI:232221) is a organic molecular entity (CHEBI:50860)