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CHEBI:232217 - serinodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232217
ChEBI Nameserinodeoxycholic 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]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C27H45NO6/c1-15(4-9-24(32)28-22(14-29)25(33)34)19-7-8-20-18-6-5-16-12-17(30)10-11-26(16,2)21(18)13-23(31)27(19,20)3/h15-23,29-31H,4-14H2,1-3H3,(H,28,32)(H,33,34)/t15-,16-,17-,18+,19-,20+,21+,22+,23+,26+,27-/m1/s1
InChIKeyQZPAFDYRAFLSMC-WFJNJMPCSA-N
ChEBI Ontology
Outgoing Relation(s)
serinodeoxycholic acid (CHEBI:232217) is a organic molecular entity (CHEBI:50860)