(24S)-1alpha,24,25-trihydroxyvitamin D3 (CHEBI:63911)

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CHEBI:63911 - (24S)-1α,24,25-trihydroxyvitamin D₃

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ChEBI ID	CHEBI:63911
ChEBI Name	(24S)-1α,24,25-trihydroxyvitamin D₃
Stars
ASCII Name	(24S)-1alpha,24,25-trihydroxyvitamin D3
Definition	A hydroxycalciol that consists of vitamin D₃ (calciol) bearing additional hydroxy substituents at positions 1, 24 and 25 (with 1S,24S-configuration).
Last Modified	14 February 2012
Submitter	Steve
Downloads	Molfile

Formula	C27H44O4
Net Charge	0
Average Mass	432.645
Monoisotopic Mass	432.32396
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](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/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1
InChIKey	WFZKUWGUJVKMHC-NABJBPAWSA-N

ChEBI Ontology

Outgoing Relation(s)
	(24S)-1α,24,25-trihydroxyvitamin D₃ (CHEBI:63911) is a hydroxycalciol (CHEBI:47042)

IUPAC Name
(1S,3R,5Z,7E,24S)-9,10-secocholesta-5,7,10-triene-1,3,24,25-tetrol

Synonyms	Source
(24S)-1α,24,25-trihydroxycholecalciferol	LIPID MAPS
(5Z,7E)-(1S,3R,24S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol	LIPID MAPS

Manual Xrefs	Databases
LMST03020294	LIPID MAPS

Registry Numbers	Sources
Reaxys:6443063	Reaxys