FComEx: Vitamin D3 (PC000336)

Record Information

Version

1.0

Creation date

2015-10-09 22:30:00 UTC

Update date

2017-01-19 02:36:20 UTC

FoodComEx ID

PC000336

FoodDB Record

FDB012732

Chemical Information

Name

Vitamin D3

Description

Constituent of fish-liver oil, especies tuna oil. Antirachitic vitamin with approx. the same potency as vitamin D2 in humans Cholecalciferol (vitamin D3) is a steroid hormone that has long been known for its important role in regulating body levels of calcium and phosphorus, in mineralization of bone, and for the assimilation of Vitamin A. Vitamin D3 is found in many foods, some of which are bamboo shoots, processed cheese, alaska pollock, and celeriac.

CAS Number

67-97-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+)-Vitamin D3	biospider
(3beta,Z,7e)-9,10-Secocholesta-5,7,10(19)-trien-3-ol	HMDB
(5e,7e)-9,10-Secocholesta-5,7,10-trien-3-ol	HMDB
3-beta,Z,7E-9,10-Secocholestr-5,7,10(19)-trien-3-ol	biospider
9,10-Secocholesta-5,7,10-trien-3-ol	HMDB
9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol	HMDB
9,10-Secocholesta-5,7,10(19)-trien-3-ol	HMDB
Activated 7-dehydrocholesterol	manual
Arachitol	biospider
Calciol	db_source
CC	HMDB
Cholecalciferol	HMDB
Cholecalciferol D3	HMDB
Cholecalciferol, BAN	db_source
Colecalciferol	HMDB
Colecalciferol, INN	db_source
D3-Vigantol	HMDB
Delsterol	db_source
Deparal	biospider
Devaron	biospider
Ebivit	biospider
Feracol	biospider
Granuvit D3	biospider
Micro-dee	biospider
Oleovitamin D3	biospider
Provitina	db_source
Quintox	biospider
Ricketon	db_source
Riva-d	biospider
Trivitan	biospider
Vi-De3	biospider
VidDe-3-hydrosol	HMDB
Videkhol	HMDB
Vigantol	biospider
Vigorsan	db_source
Vitamin D3	db_source
Vitinc dan-dee-3	HMDB

Chemical Formula

C27H44O

IUPAC name

(3E)-3-{2-[(4E)-7a-methyl-1-(6-methylheptan-2-yl)-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

InChI Identifier

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+

InChI Key

QYSXJUFSXHHAJI-FWSOMWAYSA-N

Isomeric SMILES

CC(C)CCCC(C)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C

Average Molecular Weight

384.6377

Monoisotopic Molecular Weight

384.33921603

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Vitamin D and derivatives

Direct Parent

Vitamin D and derivatives

Alternative Parents

Substituents