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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