CHEBI:33279 - vitamin D5

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ChEBI Name vitamin D5
ChEBI ID CHEBI:33279
ChEBI ASCII Name vitamin D5
Definition A vitamin D in which the side-chain at position 17 consists of a (5R)-5-ethyl-6-methylheptan-2-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H48O
Net Charge 0
Average Mass 412.69082
Monoisotopic Mass 412.371
InChI InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1
InChIKey RMDJVOZETBHEAR-LQYWTLTGSA-N
SMILES [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](CC)C(C)C
Roles Classification
Biological Role(s): fat-soluble vitamin
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
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ChEBI Ontology
Outgoing vitamin D5 (CHEBI:33279) is a vitamin D (CHEBI:27300)
IUPAC Name
(3S,5Z,7E)-9,10-secostigmasta-5,7,10-trien-3-ol
Synonyms Sources
(3β,5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3-ol ChemIDplus
(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol KEGG COMPOUND
(5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3β-ol ChEBI
24R-methylcalciol ChemIDplus
sitocalciferol ChEBI
Manual Xref Database
C18193 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
10217937 Reaxys Registry Number Reaxys
5616721 Beilstein Registry Number Beilstein
71761-06-3 CAS Registry Number ChemIDplus
Last Modified
28 July 2014