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CHEBI:229864 - 1,25-dihydroxy-2,4-dinor-1,3-secovitamin d3 / 1,25-dihydroxy-2,4-dinor-1,3-secocholecalciferol

ChEBI IDCHEBI:229864
ChEBI Name1,25-dihydroxy-2,4-dinor-1,3-secovitamin d3 / 1,25-dihydroxy-2,4-dinor-1,3-secocholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O3
Net Charge0
Average Mass390.608
Monoisotopic Mass390.31340
SMILESC=C(CO)/C(=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12)CO
InChIInChI=1S/C25H42O3/c1-18(8-6-14-24(3,4)28)22-12-13-23-20(9-7-15-25(22,23)5)10-11-21(17-27)19(2)16-26/h10-11,18,22-23,26-28H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23+,25-/m1/s1
InChIKeySJNUNWPABBITOQ-KTZDGRMWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
1,25-dihydroxy-2,4-dinor-1,3-secovitamin d3 / 1,25-dihydroxy-2,4-dinor-1,3-secocholecalciferol (CHEBI:229864) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E)-2-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methylidenebutane-1,4-diol
Manual XrefsDatabases
7826232ChemSpider
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