input word = C00050557

Metabolite InformationStructural formula
Name Chenodeoxycholic acid
Formula C24H40O4
Mw 392.29265977
CAS RN 474-25-9
C_ID C00050557
InChIKey RUDATBOHQWOJDD-BSWAIDMHSA-N
InChICode InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
SMILES C[C@H](CCOC=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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBovidaeBos taurus domesticus Ref.
--Anser cygnoides domestica Ref.
--Gallus gallus domestica Ref.
--Selenarctos thibetanus Ref.
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