input word = C00030117

Metabolite InformationStructural formula
Name Deoxycholic acid
3alpha,12alpha-Dihydroxy-5.beta.-cholanoic acid
Formula C24H40O
Mw 344.3079159
CAS RN 83-44-3
C_ID C00030117 ,
InChIKey KXGVEGMKQFWNSR-TTYWQTGHNA-N
InChICode InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
SMILES C1[C@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@]([C@H](C1)O)([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.
BacteriaMyroidaceaeMyroides sp. SM1 Ref.
FungiTrichocomaceaePenicillium sp. SA29 Ref.
--Selenarctos thibetanus Ref.
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