input word = C00032464

Metabolite InformationStructural formula
Name Ursodeoxycholic acid
Formula C24H40O4
Mw 392.29265977
CAS RN 128-13-2
C_ID C00032464 ,
InChIKey RUDATBOHQWOJDD-RWKQERLHNA-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 C1[C@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H]([C@H](C2)O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CCC(=O)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBovidaeBos taurus domesticus GMELIN Ref.
AnimaliaHominidaeHomo sapiens (Urine) Ref.
--Selenarctos thibetanus Ref.
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OrganismSelenarctos thibetanus
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)