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CHEBI:232272 - serinoursodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232272
ChEBI Nameserinoursodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H45NO6
Net Charge0
Average Mass479.658
Monoisotopic Mass479.32469
SMILESC[C@H](CCC(=O)N[C@@H](CO)C(=O)O)[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
InChIInChI=1S/C27H45NO6/c1-15(4-7-23(32)28-21(14-29)25(33)34)18-5-6-19-24-20(9-11-27(18,19)3)26(2)10-8-17(30)12-16(26)13-22(24)31/h15-22,24,29-31H,4-14H2,1-3H3,(H,28,32)(H,33,34)/t15-,16+,17-,18-,19+,20+,21+,22+,24+,26+,27-/m1/s1
InChIKeyMIGXYHMLYVAUQT-HYYKMSORSA-N
ChEBI Ontology
Outgoing Relation(s)
serinoursodeoxycholic acid (CHEBI:232272) is a organic molecular entity (CHEBI:50860)