loading...| Preferred Name |
tixocortol |
|
| Synonyms |
(11beta)-11,17-dihydroxy-21-mercaptopregn-4-ene-3,20-dione tixocortol tixocortolum 11beta,17-dihydroxy-21-sulfanylpregn-4-ene-3,20-dione |
|
| Definitions |
A steroid sulfide in which the sulfanyl group is at C-21 of a polyoxygenated derivative of pregn-4-ene. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63560 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:61951-99-3 Wikipedia:Tixocortol Reaxys:5356025 PMID:6584691 KEGG:D08610 PMID:508723 PMID:19463232 PMID:7392608 |
|
| definition |
A steroid sulfide in which the sulfanyl group is at C-21 of a polyoxygenated derivative of pregn-4-ene. |
|
| formula |
C21H30O4S |
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
11beta,17-dihydroxy-21-sulfanylpregn-4-ene-3,20-dione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(11beta)-11,17-dihydroxy-21-mercaptopregn-4-ene-3,20-dione tixocortol tixocortolum |
|
| id |
CHEBI:63560 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
|
| inchikey |
YWDBSCORAARPPF-VWUMJDOOSA-N |
|
| label |
tixocortol |
|
| mass |
378.52500 |
|
| monoisotopicmass |
378.18648 |
|
| notation |
CHEBI:63560 |
|
| prefLabel |
tixocortol |
|
| smiles |
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CS |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_62027 http://purl.obolibrary.org/obo/CHEBI_35342 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_62027 http://purl.obolibrary.org/obo/CHEBI_35342 |