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CHEBI:232258 - alaninocholic acid

Default Structure
ChEBI IDCHEBI:232258
ChEBI Namealaninocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H45NO6
Net Charge0
Average Mass479.658
Monoisotopic Mass479.32469
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]3C[C@H](O)[C@]12C)C(=O)O
InChIInChI=1S/C27H45NO6/c1-14(5-8-23(32)28-15(2)25(33)34)18-6-7-19-24-20(13-22(31)27(18,19)4)26(3)10-9-17(29)11-16(26)12-21(24)30/h14-22,24,29-31H,5-13H2,1-4H3,(H,28,32)(H,33,34)/t14-,15+,16+,17-,18-,19+,20+,21-,22+,24+,26+,27-/m1/s1
InChIKeyAZWGEBXBDOIOHW-OKVQJXITSA-N
ChEBI Ontology
Outgoing Relation(s)
alaninocholic acid (CHEBI:232258) is a organic molecular entity (CHEBI:50860)