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CHEBI:232229 - phenylalaninodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232229
ChEBI Namephenylalaninodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H49NO5
Net Charge0
Average Mass539.757
Monoisotopic Mass539.36107
SMILESC[C@H](CCC(=O)N[C@@H](Cc1ccccc1)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/C33H49NO5/c1-20(9-14-30(37)34-28(31(38)39)17-21-7-5-4-6-8-21)25-12-13-26-24-11-10-22-18-23(35)15-16-32(22,2)27(24)19-29(36)33(25,26)3/h4-8,20,22-29,35-36H,9-19H2,1-3H3,(H,34,37)(H,38,39)/t20-,22-,23-,24+,25-,26+,27+,28+,29+,32+,33-/m1/s1
InChIKeyRFRCQJKUNLZBAM-SYIRRQCNSA-N
ChEBI Ontology
Outgoing Relation(s)
phenylalaninodeoxycholic acid (CHEBI:232229) is a organic molecular entity (CHEBI:50860)