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CHEBI:225741 - Antcamphorol E

ChEBI IDCHEBI:225741
ChEBI NameAntcamphorol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O6
Net Charge0
Average Mass474.638
Monoisotopic Mass474.29814
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@H](O)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O
InChIInChI=1S/C28H42O6/c1-14(16(3)26(33)34)6-7-15(2)17-8-9-18-23-21(30)12-19-25(32)20(29)10-11-27(19,4)24(23)22(31)13-28(17,18)5/h15-21,25,29-30,32H,1,6-13H2,2-5H3,(H,33,34)/t15-,16+,17-,18+,19+,20-,21+,25-,27+,28-/m1/s1
InChIKeyGBHCASQTLCYQBV-HFIMNGLHSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (31891260)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Antcamphorol E (CHEBI:225741) is a bile acid (CHEBI:3098)
IUPAC Name 
(2S,6R)-2-methyl-3-methylidene-6-[(3R,4R,5R,7S,10S,13R,14R,17R)-3,4,7-trihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid