1alpha,25-Dihydroxy-previtamin D3 (CHEBI:193205)

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CHEBI:193205 - 1alpha,25-Dihydroxy-previtamin D3

ChEBI ID	CHEBI:193205
ChEBI Name	1alpha,25-Dihydroxy-previtamin D3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H44O3
Net Charge	0
Average Mass	416.646
Monoisotopic Mass	416.32905
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC=C2/C=C\C1=C(C)[C@H](O)C[C@@H](O)C1
InChI	InChI=1S/C27H44O3/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/h9-11,18,22-25,28-30H,6-8,12-17H2,1-5H3/b11-10-/t18-,22+,23-,24+,25-,27-/m1/s1
InChIKey	DOIZGAFWGREMOD-BJGFKTPISA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

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,25-Dihydroxy-previtamin D3 (CHEBI:193205) is a vitamin D (CHEBI:27300)

IUPAC Name
(1S,3R)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol

Manual Xrefs	Databases
4942977	ChemSpider
LMST03020660	LIPID MAPS

Registry Numbers	Sources
CAS:57102-09-7	ChemIDplus