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CHEBI:16587 - 20-hydroxyecdysone

ChEBI IDCHEBI:16587
ChEBI Name20-hydroxyecdysone
Stars
DefinitionAn ecdysteroid that is ecdysone substituted by a hydroxy group at position 20.
Secondary ChEBI IDsCHEBI:1292, CHEBI:11661, CHEBI:19795, CHEBI:49387, CHEBI:57827
Last Modified2 February 2015
DownloadsMolfile
FormulaC27H44O7
Net Charge0
Average Mass480.642
Monoisotopic Mass480.30870
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKeyNKDFYOWSKOHCCO-YPVLXUMRSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Manduca sexta (ncbitaxon:7130) - PubMed (8748375)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
20-hydroxyecdysone (CHEBI:16587) has functional parent ecdysone (CHEBI:16688)
20-hydroxyecdysone (CHEBI:16587) has role animal metabolite (CHEBI:75767)
20-hydroxyecdysone (CHEBI:16587) has role plant metabolite (CHEBI:76924)
20-hydroxyecdysone (CHEBI:16587) is a 14α-hydroxy steroid (CHEBI:36861)
20-hydroxyecdysone (CHEBI:16587) is a 20-hydroxy steroid (CHEBI:36854)
20-hydroxyecdysone (CHEBI:16587) is a 22-hydroxy steroid (CHEBI:36863)
20-hydroxyecdysone (CHEBI:16587) is a 25-hydroxy steroid (CHEBI:36864)
20-hydroxyecdysone (CHEBI:16587) is a 2β-hydroxy steroid (CHEBI:36859)
20-hydroxyecdysone (CHEBI:16587) is a 3β-sterol (CHEBI:35348)
20-hydroxyecdysone (CHEBI:16587) is a ecdysteroid (CHEBI:23897)
20-hydroxyecdysone (CHEBI:16587) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name 
(22R)-2β,3β,14α,20,22,25-hexahydroxy-5β-cholest-7-en-6-one
Synonyms  Source
20-HydroxyecdysoneKEGG COMPOUND
20-OH ecdysoneChEBI
CrustecdysoneKEGG COMPOUND
EcdysteroneKEGG COMPOUND
beta-EcdysoneChemIDplus
beta-EcdysteroneChemIDplus
UniProt Name  Source
20-hydroxyecdysoneUniProt
Manual XrefsDatabases
C02633KEGG COMPOUND
C02633KEGG COMPOUND
20EPDBeChem
20-HydroxyecdysoneWikipedia
C00003654KNApSAcK
CPD-276MetaCyc
LMST01010209LIPID MAPS
HMDB0030180HMDB
Registry NumbersSources
Reaxys:1917578Reaxys
CAS:5289-74-7KEGG COMPOUND
CAS:5289-74-7ChemIDplus
Citations