17α-estriol (Q27096920)

(8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

17-Epiestriol (English)

19 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

1 reference

C₁₈H₂₄O₃

1 reference

17-Epiestriol (English)

20 November 2016

canonical SMILES

CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

1 reference

17-Epiestriol (English)

20 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O

1 reference

17-Epiestriol (English)

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

20 November 2016

Identifiers

InChI

1 reference

17-Epiestriol (English)

PROQIPRRNZUXQM-PNVOZDDCSA-N

20 November 2016

InChIKey

2 references

Global Substance Registration System

17-Epiestriol (English)

20 November 2016

2 references

UNII

4G7IHY560Z

17α-estriol (English)

PROQIPRRNZUXQM-PNVOZDDCSA-N

20 November 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1228-72-4

1 reference

17a-Estriol (English)

20 November 2016

1 reference

17-Epiestriol (English)

20 November 2016

ChEBI ID

42156

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

stated in

ChEBI release 2021-03-01

1 reference

DSSTOX compound identifier

CHEMBL1232445 (English)

20 November 2016

1 reference

0 references

0 references

0 references

1 reference

(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL (English)

Human Metabolome Database ID

20 November 2016

HMDB0000356

1 reference

based on heuristic

inferred from InChIKey

UNII

4G7IHY560Z

1 reference

stated in

Global Substance Registration System

UNII

4G7IHY560Z

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

17α-estriol (English)

20 November 2016

0 references

1 reference

Google Knowledge Graph ID

30 June 2018

PDB ligand ID

E3O

0 references

0 references

1 reference

2J7Y (English)