CHEBI:193027 - 17α-hydroxywithaferin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 17α-hydroxywithaferin A
ChEBI ID CHEBI:193027
ChEBI ASCII Name 17alpha-hydroxywithaferin A
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/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1
InChIKey HLZVPWRVYKJCMY-ZHLLBWASSA-N
SMILES [C@]123[C@@]([C@]4(CC[C@]5([C@]([C@@]4(C[C@H]1O2)[H])(CC[C@@]5([C@H](C)[C@@]6(OC(=O)C(=C(C6)C)CO)[H])O)[H])C)[H])(C(=O)C=C[C@@H]3O)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 17α-hydroxywithaferin A (CHEBI:193027) is a δ-lactone (CHEBI:18946)
17α-hydroxywithaferin A (CHEBI:193027) is a 17α-hydroxy steroid (CHEBI:35342)
17α-hydroxywithaferin A (CHEBI:193027) is a 27-hydroxy steroid (CHEBI:37914)
17α-hydroxywithaferin A (CHEBI:193027) is a 4-hydroxy steroid (CHEBI:62846)
17α-hydroxywithaferin A (CHEBI:193027) is a enone (CHEBI:51689)
17α-hydroxywithaferin A (CHEBI:193027) is a epoxy steroid (CHEBI:145217)
17α-hydroxywithaferin A (CHEBI:193027) is a ergostanoid (CHEBI:50403)
17α-hydroxywithaferin A (CHEBI:193027) is a primary alcohol (CHEBI:15734)
17α-hydroxywithaferin A (CHEBI:193027) is a secondary alcohol (CHEBI:35681)
17α-hydroxywithaferin A (CHEBI:193027) is a withanolide (CHEBI:74716)
Synonym Source
17α-hydroxywithaferin A UniProt
Manual Xref Database
CPD-24471 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
17704015 PubMed citation SUBMITTER