CHEBI:175330 - (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol
ChEBI ID CHEBI:175330
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O2
Net Charge 0
Average Mass 414.674
Monoisotopic Mass 414.34978
InChI InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-11-15-28(6)25-23(12-14-27(22,28)5)26(4)13-10-21(29)16-20(26)17-24(25)30/h8,12,19-22,24-25,29-30H,7,9-11,13-17H2,1-6H3
InChIKey GVYKPOLJSCOPHA-UHFFFAOYSA-N
SMILES OC1C2C3(C(C(CC3)C(CCC=C(C)C)C)(CC=C2C4(C(C1)CC(O)CC4)C)C)C
ChEBI Ontology
Outgoing (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol (CHEBI:175330) is a cholestanoid (CHEBI:50401)
IUPAC Name
10,13,14-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol
Manual Xref Database
HMDB0041111 HMDB
View more database links