CHEBI:156177 - (23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone

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ChEBI Name (23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
ChEBI ID CHEBI:156177
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C27H38O4
Net Charge 0
Average Mass 426.597
Monoisotopic Mass 426.27701
InChI InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21-,22+,23-,24+,25+,27-/m1/s1
InChIKey SAODSJHDCZTVAT-CZADFQNYSA-N
SMILES O1[C@@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C\4/C[C@@H](O)C[C@H](O)C4=C)[H])C)[H])C)CC(C1=O)=C
Roles Classification
Biological Role(s): 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.
(via vitamin D )
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ChEBI Ontology
Outgoing (23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone (CHEBI:156177) is a vitamin D (CHEBI:27300)
IUPAC Name
(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
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LMST03020599 LIPID MAPS
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