input word = C00030411

Metabolite InformationStructural formula
Name Glycodeoxycholic acid
Formula C26H43NO5
Mw 449.31412349
CAS RN 360-65-6
C_ID C00030411 ,
InChIKey WVULKSPCQVQLCU-MRZZRVRLNA-N
InChICode InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/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)NCC(=O)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium sp. SA29 Ref.
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