loading...| Preferred Name |
ecdysone |
|
| Synonyms |
(2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one Ecdysone ecdysone (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one |
|
| Definitions |
A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16688 |
|
| charge |
0 |
|
| database_cross_reference |
MeSH:D004440 Wikipedia:Ecdysone KNApSAcK:C00003651 PMID:19342482 PMID:22310011 PMID:23072462 PMID:23017214 PMID:22828514 LIPID_MAPS_instance:LMST01010210 Reaxys:2422986 CAS:3604-87-3 KEGG:C00477 |
|
| definition |
A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. |
|
| formula |
C27H44O6 |
|
| has_alternative_id |
CHEBI:14205 CHEBI:23889 CHEBI:4741 |
|
| has_exact_synonym |
(2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one Ecdysone ecdysone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one |
|
| has_role | ||
| id |
CHEBI:16688 |
|
| in_subset | ||
| inchi |
InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1 |
|
| inchikey |
UPEZCKBFRMILAV-JMZLNJERSA-N |
|
| label |
ecdysone |
|
| mass |
464.63466 |
|
| monoisotopicmass |
464.31379 |
|
| notation |
CHEBI:16688 |
|
| prefLabel |
ecdysone |
|
| smiles |
[H][C@@]1(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)[C@H](C)[C@H](O)CCC(C)(C)O |
|
| subClassOf |