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CHEBI:232245 - 7-oxotryptophanolithocholic acid

Default Structure
ChEBI IDCHEBI:232245
ChEBI Name7-oxotryptophanolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC35H48N2O5
Net Charge0
Average Mass576.778
Monoisotopic Mass576.35632
SMILESC[C@H](CCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C35H48N2O5/c1-20(8-11-31(40)37-29(33(41)42)16-21-19-36-28-7-5-4-6-24(21)28)25-9-10-26-32-27(13-15-35(25,26)3)34(2)14-12-23(38)17-22(34)18-30(32)39/h4-7,19-20,22-23,25-27,29,32,36,38H,8-18H2,1-3H3,(H,37,40)(H,41,42)/t20-,22+,23-,25-,26+,27+,29+,32+,34+,35-/m1/s1
InChIKeyRLIJACICRYTRCI-XEZZATLUSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxotryptophanolithocholic acid (CHEBI:232245) is a organic molecular entity (CHEBI:50860)