(Q27067422)

English

16α-hydroxyestrone

chemical compound

3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one
estra-1,3,5(10)-triene-3,16alpha-diol-17-one
3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one
16 alpha OHE
3,16a-Dihydroxy-1,3,5(10)-estratrien-17-one
Estra-1,3,5(10)-triene-3,16a-diol-17-one
3,16a-Dihydroxy-Estra-1,3,5(10)-trien-17-one
(1S,10R,11S,13R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one
16 alpha-Hydroxyestrone
16α-Hydroxyestrone

In more languages

Statements

type of chemical entity

0 references

0 references

16-Hydroxyestrone

1 reference

based on heuristic

inferred from SMILES

chemical structure

16α-Hydroxyestrone.svg
1,345 × 780; 22 KB

0 references

286.157 dalton

1 reference

language of work or name

16alpha-Hydroxyestrone (English)

19 October 2016

stereoisomer of

16beta-hydroxyestrone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₂O₃

1 reference

language of work or name

16alpha-Hydroxyestrone (English)

20 November 2016

canonical SMILES

CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O

1 reference

language of work or name

16alpha-Hydroxyestrone (English)

20 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O

1 reference

language of work or name

16alpha-Hydroxyestrone (English)

20 November 2016

3 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

Estrogen metabolites and the risk of breast cancer in older women

Identifiers

InChI=1S/C18H22O3/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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1

1 reference

language of work or name

16alpha-Hydroxyestrone (English)

20 November 2016

WPOCIZJTELRQMF-QFXBJFAPSA-N

2 references

language of work or name

16alpha-Hydroxyestrone (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

16α-hydroxyestrone (English)

20 November 2016

WPOCIZJTELRQMF-QFXBJFAPSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=566-76-7

1 reference

language of work or name

3,16a-dihydroxy-Estra-1,3,5(10)-trien-17-one (English)

20 November 2016

1 reference

language of work or name

16alpha-Hydroxyestrone (English)

20 November 2016

Reaxys registry number

3214335

1 reference

language of work or name

16alpha-hydroxyestrone (English)

19 October 2016

mapping relation type

1 reference

language of work or name

CHEMBL1233720 (English)

20 November 2016

1 reference

language of work or name

CHEMBL1233720 (English)

20 November 2016

UniChem compound ID

1 reference

splash10-0019-3941100000-3a930f8cc95b733c8653

0 references

637-216-5

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

1,3,5(10)-Estratriene-3,16α-diol-17-one (English)

CAS no.: 566-76-7 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

1,3,5(10)-Estratriene-3,16α-diol-17-one (English)

CAS no.: 566-76-7 (English)

Human Metabolome Database ID

0 references

1 reference

Global Substance Registration System

language of work or name

16α-hydroxyestrone (English)

20 November 2016

Probes And Drugs ID

0 references

1 reference

language of work or name

16alpha-hydroxyestrone (English)

19 October 2016

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

15 January 2022

WPOCIZJTELRQMF-QFXBJFAPSA-N

1 reference

https://www.swisslipids.org/#/downloads

6 November 2021

IEDB Epitope ID

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

1 March 2022

0 references

Pluntar Athletic Club

0 references

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

3HLV (English)

19 October 2016

Sitelinks

Wikipedia(4 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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