ERG

ERGOSTEROL


Toggle HydrogenToggle Labels

Chemical Component Summary

NameERGOSTEROL
Identifiers(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
FormulaC28 H44 O
Molecular Weight396.648
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChIInChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKeyDNVPQKQSNYMLRS-APGDWVJJSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count8
Bond Count76
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04038 
NameErgosterol
Groups
  • approved
  • experimental
DescriptionA steroid of interest both because its biosynthesis in FUNGI is a target of ANTIFUNGAL AGENTS, notably AZOLES, and because when it is present in SKIN of animals, ULTRAVIOLET RAYS break a bond to result in ERGOCALCIFEROL.
Synonyms
  • (22E,24S)-24-methylcholesta-5,7,22-trien-3β-ol
  • Ergosterol
  • Provitamin D2
Brand NamesZoo Chews Plus Iron
Categories
  • Cholestanes
  • Cholestenes
  • Diet, Food, and Nutrition
  • Food
  • Fused-Ring Compounds
CAS number57-87-4

Related Resource References

Resource NameReference
PubChem 444679
ChEMBL CHEMBL1232562
ChEBI CHEBI:16933