estriol 3-O-(beta-D-glucuronide) (Q27120636)

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chemical compound

(14beta,16alpha,17alpha)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
Estriol 3-glucuronide
E13G
16alpha,17beta-estriol 3-(beta-D-glucuronide)
estra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-D-glucuronide
16a,17b-Dihydroxyestra-1,3,5(10)-trien-3-yl-glucopyranosiduronic acid
Estriol 3-(beta-D-glucuronide)
Estriol 3-glucosiduronate
16alpha,17beta-Dihydroxyestra-1,3,5(10)-trien-3-yl-glucopyranosiduronic acid
Estriol 3-monoglucuronide
Estriol 3-glucopyranuronoside
Estriol 3-(beta-delta-glucuronide)
Estriol 3-beta-glucuronide
16alpha,17beta-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-D-glucosiduronic acid
16alpha,17beta-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-delta-glucosiduronic acid
(2S,3S,4S,5R,6S)-6-{[(13R,14R,15S)-13,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
16a,17b-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-delta-glucosiduronic acid
16a,17b-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-D-glucosiduronic acid
Estriol 3-glucuronoside
(2S,3S,4S,5R,6S)-6-[[(13S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Language	Label	Description	Also known as
English	estriol 3-O-(beta-D-glucuronide)	chemical compound	(14beta,16alpha,17alpha)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid Estriol 3-glucuronide E13G 16alpha,17beta-estriol 3-(beta-D-glucuronide) estra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-D-glucuronide 16a,17b-Dihydroxyestra-1,3,5(10)-trien-3-yl-glucopyranosiduronic acid Estriol 3-(beta-D-glucuronide) Estriol 3-glucosiduronate 16alpha,17beta-Dihydroxyestra-1,3,5(10)-trien-3-yl-glucopyranosiduronic acid Estriol 3-monoglucuronide Estriol 3-glucopyranuronoside Estriol 3-(beta-delta-glucuronide) Estriol 3-beta-glucuronide 16alpha,17beta-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-D-glucosiduronic acid 16alpha,17beta-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-delta-glucosiduronic acid (2S,3S,4S,5R,6S)-6-{[(13R,14R,15S)-13,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 16a,17b-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-delta-glucosiduronic acid 16a,17b-Dihydroxyestra-1,3,5(10)-trien-3-yl-beta-D-glucosiduronic acid Estriol 3-glucuronoside (2S,3S,4S,5R,6S)-6-[[(13S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Statements

type of chemical entity

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chemical structure

Estriol 3-glucuronide.svg
1,835 × 915; 34 KB

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464.205±0 dalton

1 reference

language of work or name

Estriol 3-glucuronide (English)

19 October 2016

stereoisomer of

16-epiestriol 3-O-(beta-D-glucuronide)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

17-epiestriol 3-O-(beta-D-glucuronide)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₉

1 reference

language of work or name

Estriol 3-glucuronide (English)

19 October 2016

canonical SMILES

CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

1 reference

language of work or name

Estriol 3-glucuronide (English)

19 October 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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

1 reference

language of work or name

Estriol 3-glucuronide (English)

19 October 2016

Identifiers

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1

1 reference

language of work or name

Estriol 3-glucuronide (English)

19 October 2016

UZKIAJMSMKLBQE-JRSYHJKYSA-N

2 references

language of work or name

Estriol 3-glucuronide (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

estriol 3-O-(beta-D-glucuronide) (English)

19 October 2016

UZKIAJMSMKLBQE-JRSYHJKYSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2479-91-6

1 reference

language of work or name

(16alpha,17beta)-16,17-Dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid (English)

19 October 2016

1 reference

language of work or name

Estriol 3-glucuronide (English)

19 October 2016

Reaxys registry number

5664384

1 reference

language of work or name

estriol 3-O-(beta-D-glucuronide) (English)

19 October 2016

mapping relation type

1 reference

language of work or name

estriol 3-O-(beta-D-glucuronide) (English)

19 October 2016

1 reference

language of work or name

CHEMBL1236070 (English)

19 October 2016

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

DTXCID201375957

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Human Metabolome Database ID

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1 reference

language of work or name

estriol 3-O-(beta-D-glucuronide) (English)

19 October 2016

0 references

IEDB Epitope ID

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

1 March 2022

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Google Knowledge Graph ID

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1BFV (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

2BFV (English)

19 October 2016

Sitelinks

Wikipedia(1 entry)

enwiki Estriol 3-glucuronide

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Wikiquote(0 entries)

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Wiktionary(0 entries)

Multilingual sites(0 entries)

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