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

ChEBI IDCHEBI:190314
ChEBI Name20(17->12beta)-abeo-1alpha,25-dihydroxy-24-dihomo-21-norvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]12CCC[C@@]1(C)[C@H](CCCCCCC(C)(C)O)CC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=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
InChIKeyQYYKGLLHBFTBFY-DDWZFWDPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMST03020636LIPID MAPS
9771937ChemSpider