input word = C00051298

Metabolite InformationStructural formula
Name Lithocholic acid
Formula C24H40O3
Mw 376.29774514
CAS RN 434-13-9
C_ID C00051298
InChIKey IXJSUZXJRUAOFB-HFDLPBCYNA-N
InChICode InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES C[C@H](CCOC=O)[C@H]1CC[C@H]2[C@@H]3CC[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.
AnimaliaHominidaeHomo sapiens (Urine) Ref.
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