(24R)-1alpha,24,25-Trihydroxyvitamin D2 (CHEBI:166748)

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CHEBI:166748 - (24R)-1alpha,24,25-Trihydroxyvitamin D2

ChEBI ID	CHEBI:166748
ChEBI Name	(24R)-1alpha,24,25-Trihydroxyvitamin D2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H44O4
Net Charge	0
Average Mass	444.656
Monoisotopic Mass	444.32396
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@@](C)(O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChI	InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
InChIKey	KRGCLKZOZQUAFK-ABEKVIRTSA-N

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)
	(24R)-1alpha,24,25-Trihydroxyvitamin D2 (CHEBI:166748) is a vitamin D (CHEBI:27300)

IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Manual Xrefs	Databases
7826193	ChemSpider
HMDB0006227	HMDB
LMST03010051	LIPID MAPS

Registry Numbers	Sources
CAS:100496-04-6	ChemIDplus