loading...| Preferred Name |
estetrol |
|
| Synonyms |
estra-1(10),2,4-triene-3,15alpha,16alpha,17beta-tetrol 15alpha-hydroxyestriol 3,15alpha,16alpha,17beta-tetrahydroxyestra-1,3,5(10)-triene estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol (15alpha,16alpha,17beta)-estra-1(10),2,4-triene-3,15,16,17-tetrol Donesta estetrol estetrolum oestetrol |
|
| Definitions |
A 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_142773 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25961355 PMID:18464016 Patent:EP2383279 PMID:23992378 PMID:27799463 PMID:25079370 PMID:26212489 PMID:28827141 Wikipedia:Estetrol PMID:18462934 PMID:29928930 PMID:29931320 PMID:28371720 PMID:28641030 PMID:19167495 DrugBank:DB12235 PMID:1222727 CAS:15183-37-6 PMID:545977 PDBeChem:4OH PMID:28364860 PMID:28267365 PMID:18464023 PMID:30308312 PMID:4003113 |
|
| definition |
A 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. |
|
| formula |
C18H24O4 |
|
| has_exact_synonym |
estra-1(10),2,4-triene-3,15alpha,16alpha,17beta-tetrol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| has_related_synonym |
15alpha-hydroxyestriol 3,15alpha,16alpha,17beta-tetrahydroxyestra-1,3,5(10)-triene estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol (15alpha,16alpha,17beta)-estra-1(10),2,4-triene-3,15,16,17-tetrol Donesta estetrol estetrolum oestetrol |
|
| id |
CHEBI:142773 |
|
| in_subset | ||
| inchi |
InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1 |
|
| inchikey |
AJIPIJNNOJSSQC-NYLIRDPKSA-N |
|
| label |
estetrol |
|
| mass |
304.381 |
|
| monoisotopicmass |
304.16746 |
|
| notation |
CHEBI:142773 |
|
| prefLabel |
estetrol |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_63951 http://purl.obolibrary.org/obo/CHEBI_49325 |
|
| smiles |
C12=CC=C(C=C1CC[C@@]3([C@@]2(CC[C@]4([C@]3([C@H]([C@H]([C@@H]4O)O)O)[H])C)[H])[H])O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_83147 http://purl.obolibrary.org/obo/CHEBI_16799 http://purl.obolibrary.org/obo/CHEBI_36834 |