CHEBI:173213 - (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol

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ChEBI Name (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol
ChEBI ID CHEBI:173213
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O4
Net Charge 0
Average Mass 446.672
Monoisotopic Mass 446.33961
InChI InChI=1S/C28H46O4/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(27,32)25(31)24(23)30/h7-8,16-21,24-25,29-32H,9-15H2,1-6H3/b8-7+
InChIKey JYZONTNDJOOGSM-BQYQJAHWSA-N
SMILES OC12C(C3=C(C4C(C(CC4)C(C)/C=C/C(C(C)C)C)(CC3)C)C(O)C1O)(CCC(O)C2)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol (CHEBI:173213) is a ergostanoid (CHEBI:50403)
IUPAC Name
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
Manual Xref Database
HMDB0032107 HMDB
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