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CHEBI:176865 - (5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol

ChEBI IDCHEBI:176865
ChEBI Name(5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/C=C/C=C/CO)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C28H40O3/c1-20(10-7-5-4-6-8-17-29)25-14-15-26-22(11-9-16-28(25,26)3)12-13-23-18-24(30)19-27(31)21(23)2/h4-8,10,12-13,20,24-27,29-31H,2,9,11,14-19H2,1,3H3/b5-4+,8-6+,10-7+,22-12+,23-13-/t20-,24-,25-,26+,27+,28-/m1/s1
InChIKeyDHSBJCJEENJGKO-QDVNLBANSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma congolense (ncbitaxon:5692) Whole Organism (NCIT:C13413) MetaboLights (MTBLS2372)
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)
(5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol (CHEBI:176865) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E,7E)-9-hydroxynona-3,5,7-trien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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