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CHEBI:193027 - 17α-hydroxywithaferin A

ChEBI IDCHEBI:193027
ChEBI Name17α-hydroxywithaferin A
Stars
ASCII Name17alpha-hydroxywithaferin A
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
SMILES[H][C@@]12C[C@H]3O[C@]34[C@@H](O)C=CC(=O)[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)[C@H](C)[C@@]1([H])CC(C)=C(CO)C(=O)O1
InChIInChI=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
InChIKeyHLZVPWRVYKJCMY-ZHLLBWASSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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)
17α-hydroxywithaferin A (CHEBI:193027) is a δ-lactone (CHEBI:18946)
UniProt Name  Source
17α-hydroxywithaferin AUniProt
Manual XrefsDatabases
CPD-24471MetaCyc
Citations