CHEBI:209975 - (23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one

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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 (23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one
ChEBI ID CHEBI:209975
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O6
Net Charge 0
Average Mass 476.654
Monoisotopic Mass 476.31379
InChI InChI=1S/C28H44O6/c1-15-14-34-23(16(15)2)24(31)27(5,32)22-8-11-28(33)19-13-21(30)20-12-17(29)6-9-25(20,3)18(19)7-10-26(22,28)4/h13,15-18,20,22-24,29,31-33H,6-12,14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25+,26+,27-,28+/m0/s1
InChIKey FBQJWZJYUOWAOR-UBTGPEGFSA-N
SMILES O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@](O)([C@H](O)[C@@H]4OC[C@@H]([C@H]4C)C)C)CC3)(CC[C@@H]2[C@@]5([C@H]1C[C@@H](O)CC5)C)C
Metabolite of Species Details
Polyporus umbellatus (NCBI:txid158314) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one (CHEBI:209975) is a bile acid (CHEBI:3098)
IUPAC Name
(3S,5R,9R,10R,13R,14S,17S)-17-[(1R,2S)-1-[(2R,3R,4R)-3,4-dimethyloxolan-2-yl]-1,2-dihydroxypropan-2-yl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual Xref Database
78441095 ChemSpider
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