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CHEBI:203421 - Gloeophyllin F

ChEBI IDCHEBI:203421
ChEBI NameGloeophyllin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILESC=C(CC[C@H](C(=O)O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C30H48O3/c1-18(2)19(3)8-9-21(27(32)33)23-12-11-22-20-10-13-25-28(4,5)26(31)15-17-30(25,7)24(20)14-16-29(22,23)6/h18,21-23,25-26,31H,3,8-17H2,1-2,4-7H3,(H,32,33)/t21-,22-,23+,25-,26-,29-,30+/m0/s1
InChIKeyXKDQIZLYDBYWGU-KEKRBBGGSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum abietinum (ncbitaxon:180171) - PubMed (25915800)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin F (CHEBI:203421) is a bile acid (CHEBI:3098)
IUPAC Name 
(2S)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid