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CHEBI:190320 - 1alpha,24-Dihydroxy-22-ene-24-cyclopropylvitamin D3

ChEBI IDCHEBI:190320
ChEBI Name1alpha,24-Dihydroxy-22-ene-24-cyclopropylvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/C(O)(C(C)C)C3CC3)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C30H46O3/c1-19(2)30(33,24-10-11-24)16-14-20(3)26-12-13-27-22(7-6-15-29(26,27)5)8-9-23-17-25(31)18-28(32)21(23)4/h8-9,14,16,19-20,24-28,31-33H,4,6-7,10-13,15,17-18H2,1-3,5H3/b16-14+,22-8+,23-9-/t20-,25-,26-,27+,28+,29-,30?/m1/s1
InChIKeyKRIFCSVCDLOHLI-TXDSMNBXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
Roles Classification
Biological Role:
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
ChEBI Ontology
Outgoing Relation(s)
1alpha,24-Dihydroxy-22-ene-24-cyclopropylvitamin D3 (CHEBI:190320) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
LMST03020638LIPID MAPS
24823370ChemSpider