1,25-Dihydroxy-16-ene-vitamin D3 (CHEBI:230283)

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CHEBI:230283 - 1,25-Dihydroxy-16-ene-vitamin D3

ChEBI ID	CHEBI:230283
ChEBI Name	1,25-Dihydroxy-16-ene-vitamin D3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H42O3
Net Charge	0
Average Mass	414.630
Monoisotopic Mass	414.31340
SMILES	C=C1C(C/C=C2\CCC[C@]3(C)C([C@H](C)CCCC(C)(C)O)=CC[C@@H]23)C=C(O)C[C@H]1O
InChI	InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10,12,16,18,21,24-25,28-30H,2,6-9,11,13-15,17H2,1,3-5H3/b20-10+/t18-,21?,24+,25-,27-/m1/s1
InChIKey	CZBGBNZNGSRTCH-XIJCJBARSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

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)
	1,25-Dihydroxy-16-ene-vitamin D3 (CHEBI:230283) is a vitamin D (CHEBI:27300)

IUPAC Name
(1R)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylidenecyclohex-3-ene-1,3-diol

Manual Xrefs	Databases
4943607	ChemSpider