CHEBI:190314 - 20(17->12beta)-abeo-1alpha,25-dihydroxy-24-dihomo-21-norvitamin D3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 20(17->12beta)-abeo-1alpha,25-dihydroxy-24-dihomo-21-norvitamin D3
ChEBI ID CHEBI:190314
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O3
Net Charge 0
Average Mass 430.673
Monoisotopic Mass 430.34470
InChI InChI=1S/C28H46O3/c1-20-22(18-24(29)19-26(20)30)13-12-21-14-15-23(28(4)17-9-11-25(21)28)10-7-5-6-8-16-27(2,3)31/h12-13,23-26,29-31H,1,5-11,14-19H2,2-4H3/b21-12+,22-13-/t23-,24-,25+,26+,28+/m1/s1
InChIKey QYYKGLLHBFTBFY-DDWZFWDPSA-N
SMILES O[C@@H]1C\C(=C\C=C/2\[C@]3([C@]([C@@H](CC2)CCCCCCC(O)(C)C)(CCC3)C)[H])\C([C@@H](O)C1)=C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 20(17->12beta)-abeo-1alpha,25-dihydroxy-24-dihomo-21-norvitamin D3 (CHEBI:190314) is a steroid (CHEBI:35341)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(3aS,7R,7aS)-7-(7-hydroxy-7-methyloctyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xrefs Databases
9771937 ChemSpider
LMST03020636 LIPID MAPS
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