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| InChIKey | KXGVEGMKQFWNSR-MFSKYVBHSA-N |
| InChI | 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 | C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C |
| #reac | |
|---|---|
| Distinct reactions in my sandbox | 0 |
| Distinct generic reactions in MNXref | 0 |
| Distinct compatimentalized reactions in models | 0 |
| Identifier | Description |
|---|---|
| hmdb:HMDB0000411 | 3a,12b-Dihydroxy-5b-cholanoic acid (4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16R)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid 12-Epi-deoxy-cholate 12-Epi-deoxy-cholic acid 12-Epi-deoxycholate 12-Epi-deoxycholic acid 12-Epideoxycholate 12-Epideoxycholic acid 12-epideoxycholate 3a,12b-Dihydroxy-5b-cholan-24-Oate 3a,12b-Dihydroxy-5b-cholan-24-Oic acid 3a,12b-Dihydroxy-5b-cholanate 3a,12b-Dihydroxy-5b-cholanic acid 3a,12b-Dihydroxy-5b-cholanoate 3a,12b-Dihydroxycholanoate 3a,12b-Dihydroxycholanoic acid |
| seedM:cpd17762 | 12-Epideoxycholate 12-Epideoxycholic acid |
| lipidmaps:LMST04010041 | Lagodeoxycholic 3alpha,12beta-Dihydroxy-5beta-cholan-24-oic Acid |
| chebi:81242 keggC:C17646 | 12-Epideoxycholic acid 12-Epideoxycholate |
| hmdb:HMDB00411 keggC:M_C17646 seedM:M_cpd17762 | secondary/obsolete/fantasy identifier |
| MNXM33249 | is deprecated and replaced by this entry |
| MNXM724886 | is deprecated and replaced by this entry |
