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 ,
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)
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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OrganismSelenarctos thibetanus
ReferenceOu, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009).

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

Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).