CHEBI:193033 - 27-hydroxywithanone

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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 27-hydroxywithanone
ChEBI ID CHEBI:193033
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H38O7
Net Charge 0
Average Mass 486.605
Monoisotopic Mass 486.26175
InChI InChI=1S/C28H38O7/c1-14-12-19(34-24(31)16(14)13-29)15(2)27(32)11-8-17-21-18(7-10-25(17,27)3)26(4)20(30)6-5-9-28(26,33)23-22(21)35-23/h5-6,15,17-19,21-23,29,32-33H,7-13H2,1-4H3/t15-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1
InChIKey XOKCBESGXYESDY-LGZUTLPBSA-N
SMILES [C@H]([C@@]1(O)CC[C@]2([C@@]3([C@H]4[C@@H]([C@]5(CC=CC(=O)[C@@]5([C@]3(CC[C@@]21C)[H])C)O)O4)[H])[H])([C@@]6(OC(C(=C(C6)C)CO)=O)[H])C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 27-hydroxywithanone (CHEBI:193033) is a δ-lactone (CHEBI:18946)
27-hydroxywithanone (CHEBI:193033) is a 17α-hydroxy steroid (CHEBI:35342)
27-hydroxywithanone (CHEBI:193033) is a 27-hydroxy steroid (CHEBI:37914)
27-hydroxywithanone (CHEBI:193033) is a 27-hydroxysterols (CHEBI:193031)
27-hydroxywithanone (CHEBI:193033) is a enone (CHEBI:51689)
27-hydroxywithanone (CHEBI:193033) is a epoxy steroid (CHEBI:145217)
27-hydroxywithanone (CHEBI:193033) is a ergostanoid (CHEBI:50403)
27-hydroxywithanone (CHEBI:193033) is a primary alcohol (CHEBI:15734)
27-hydroxywithanone (CHEBI:193033) is a secondary alcohol (CHEBI:35681)
27-hydroxywithanone (CHEBI:193033) is a withanolide (CHEBI:74716)
Synonym Source
27-hydroxywithanone UniProt
Manual Xref Database
CPD-24474 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
17704015 PubMed citation SUBMITTER