loading...| Preferred Name |
estriol |
| Synonyms |
ESTRIOL Estriol 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol 16alpha-hydroxyestradiol estra-1,3,5(10)-triene-3,16alpha,17beta-triol (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol Oestriol 3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene Estriel oestriol 16alpha,17beta-estriol trihydroxyestrin |
| Definitions |
A 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). |
| ID |
http://purl.obolibrary.org/obo/CHEBI_27974 |
| charge |
0 |
| database_cross_reference |
PDBeChem:ESL CAS:50-27-1 LIPID_MAPS_instance:LMST02010003 PMID:9373313 Wikipedia:Estriol Drug_Central:3187 MetaCyc:ESTRIOL Reaxys:2508172 PMID:11133265 HMDB:HMDB0000153 PMID:23777262 DrugBank:DB04573 Beilstein:2508172 KEGG:D00185 VSDB:1907 KEGG:C05141 LINCS:LSM-2368 |
| definition |
A 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). |
| formula |
C18H24O3 |
| has parent hydride | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_76967 http://purl.obolibrary.org/obo/CHEBI_50114 |
| has_alternative_id |
CHEBI:23969 CHEBI:4869 CHEBI:42467 |
| has_exact_synonym |
ESTRIOL Estriol estra-1,3,5(10)-triene-3,16alpha,17beta-triol |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol 16alpha-hydroxyestradiol (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol Oestriol 3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene Estriel oestriol 16alpha,17beta-estriol trihydroxyestrin |
| id |
CHEBI:27974 |
| in_subset | |
| inchi |
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| inchikey |
PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| label |
estriol |
| mass |
288.38140 |
| monoisotopicmass |
288.17254 |
| notation |
CHEBI:27974 |
| prefLabel |
estriol |
| smiles |
[H][C@]12CC[C@]3(C)[C@@H](O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_16799 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_16799 |