EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167507 - 6-methylprevitamin D

ChEBI IDCHEBI:167507
ChEBI Name6-methylprevitamin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC=C2/C=C(\C)C1=C(C)CC[C@H](O)C1
InChIInChI=1S/C28H46O/c1-19(2)9-7-10-21(4)26-14-15-27-23(11-8-16-28(26,27)6)17-22(5)25-18-24(29)13-12-20(25)3/h11,17,19,21,24,26-27,29H,7-10,12-16,18H2,1-6H3/b22-17+/t21-,24+,26-,27+,28-/m1/s1
InChIKeyLSMNSOVKLBDZMU-DUVJLZCRSA-N
Species of MetaboliteComponentSourceComments
unidentified (ncbitaxon:32644) soil (ENVO:00001998) MetaboLights (MTBLS1196) Strain: silty clay loam soil
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)
6-methylprevitamin D (CHEBI:167507) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S)-3-[(E)-1-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]prop-1-en-2-yl]-4-methylcyclohex-3-en-1-ol
Manual XrefsDatabases
4446861ChemSpider
LMST03020333LIPID MAPS