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CHEBI:232203 - alaninochenodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232203
ChEBI Namealaninochenodeoxycholic 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]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChIInChI=1S/C27H45NO5/c1-15(5-8-23(31)28-16(2)25(32)33)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(29)13-17(26)14-22(24)30/h15-22,24,29-30H,5-14H2,1-4H3,(H,28,31)(H,32,33)/t15-,16+,17+,18-,19-,20+,21+,22-,24+,26+,27-/m1/s1
InChIKeyHHGKPVQSNIVPPF-ZNFFIOPCSA-N
ChEBI Ontology
Outgoing Relation(s)
alaninochenodeoxycholic acid (CHEBI:232203) is a organic molecular entity (CHEBI:50860)