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CHEBI:230762 - 26,27-diethyl-1alpha,25-dihydroxy-22-thiavitamin d3 / 26,27-diethyl-1alpha,25-dihydroxy-22-thiacholecalciferol
| Formula | C30H50O3S |
| Net Charge | 0 |
| Average Mass | 490.794 |
| Monoisotopic Mass | 490.34807 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)SCCC(O)(CCC)CCC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
| InChI | InChI=1S/C30H50O3S/c1-6-14-30(33,15-7-2)17-18-34-22(4)26-12-13-27-23(9-8-16-29(26,27)5)10-11-24-19-25(31)20-28(32)21(24)3/h10-11,22,25-28,31-33H,3,6-9,12-20H2,1-2,4-5H3/b23-10+,24-11-/t22-,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | DHHHZPHUXCNBHF-ITTRCMFSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 26,27-diethyl-1alpha,25-dihydroxy-22-thiavitamin d3 / 26,27-diethyl-1alpha,25-dihydroxy-22-thiacholecalciferol (CHEBI:230762) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-propylhexyl)sulanylethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
| Manual Xrefs | Databases |
|---|---|
| 7826510 | ChemSpider |
| LMST03020466 | LIPID MAPS |