CHEBI:187218 - (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol

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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 (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol
ChEBI ID CHEBI:187218
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O3
Net Charge 0
Average Mass 426.641
Monoisotopic Mass 426.31340
InChI InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+
InChIKey USHMBEFGKMCIBD-BQYQJAHWSA-N
SMILES O1C23C(C4=C(C(O)C12)C=5C(CC4)(C(CC5)C(C)/C=C/C(C(C)C)C)C)(CCC(O)C3)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol (CHEBI:187218) is a ergostanoid (CHEBI:50403)
IUPAC Name
15-[(E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1(11),12-diene-5,10-diol
Manual Xref Database
HMDB0036304 HMDB
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