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CHEBI:193035 - 5α,6β,17α,27-tetrahydroxywithanolide

ChEBI IDCHEBI:193035
ChEBI Name5α,6β,17α,27-tetrahydroxywithanolide
Stars
ASCII Name5alpha,6beta,17alpha,27-tetrahydroxywithanolide
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILES[H][C@@]12C[C@@H](O)[C@@]3(O)CC=CC(=O)[C@]3(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/C28H40O7/c1-15-12-21(35-24(32)18(15)14-29)16(2)27(33)11-8-19-17-13-23(31)28(34)9-5-6-22(30)26(28,4)20(17)7-10-25(19,27)3/h5-6,16-17,19-21,23,29,31,33-34H,7-14H2,1-4H3/t16-,17+,19+,20+,21-,23-,25+,26+,27+,28+/m1/s1
InChIKeyDDFLYRZLCDGOEF-GOASYUQISA-N
ChEBI Ontology
Outgoing Relation(s)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 17α-hydroxy steroid (CHEBI:35342)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 27-hydroxy steroid (CHEBI:37914)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 27-hydroxysterols (CHEBI:193031)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 5α-hydroxy steroid (CHEBI:38194)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a 6β-hydroxy steroid (CHEBI:36851)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a enone (CHEBI:51689)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a primary alcohol (CHEBI:15734)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a secondary alcohol (CHEBI:35681)
5α,6β,17α,27-tetrahydroxywithanolide (CHEBI:193035) is a δ-lactone (CHEBI:18946)
UniProt Name  Source
5α,6β,17α,27-tetrahydroxywithanolideUniProt
Manual XrefsDatabases
CPD-24480MetaCyc
Citations