25-Hydroxyvitamin D2-25-glucuronide (CHEBI:176156)

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CHEBI:176156 - 25-Hydroxyvitamin D2-25-glucuronide

ChEBI ID	CHEBI:176156
ChEBI Name	25-Hydroxyvitamin D2-25-glucuronide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H52O8
Net Charge	0
Average Mass	588.782
Monoisotopic Mass	588.36622
SMILES	[H][C@]1([C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CCC2/C(=C/C=C3/CC(O)CCC3=C)CCC[C@@]21C
InChI	InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24?,25-,26?,27+,28+,29-,30+,32+,34-/m1/s1
InChIKey	MWEHQOJAQKGFMP-JJVXHKTJSA-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)
	25-Hydroxyvitamin D2-25-glucuronide (CHEBI:176156) is a vitamin D (CHEBI:27300)

IUPAC Name
(2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0010342	HMDB
4947981	ChemSpider

Registry Numbers	Sources
CAS:76020-77-4	ChemIDplus