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CHEBI:232253 - serinocholic acid

Default Structure
ChEBI IDCHEBI:232253
ChEBI Nameserinocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H45NO7
Net Charge0
Average Mass495.657
Monoisotopic Mass495.31960
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]3C[C@H](O)[C@]12C
InChIInChI=1S/C27H45NO7/c1-14(4-7-23(33)28-20(13-29)25(34)35)17-5-6-18-24-19(12-22(32)27(17,18)3)26(2)9-8-16(30)10-15(26)11-21(24)31/h14-22,24,29-32H,4-13H2,1-3H3,(H,28,33)(H,34,35)/t14-,15+,16-,17-,18+,19+,20+,21-,22+,24+,26+,27-/m1/s1
InChIKeyLLEBFOGPKXFKIL-QCBZUUICSA-N
ChEBI Ontology
Outgoing Relation(s)
serinocholic acid (CHEBI:232253) is a organic molecular entity (CHEBI:50860)