(Q27271553)

Estrone glucuronide (English)

19 October 2016

chemical formula

C₂₄H₃₀O₈

1 reference

Estrone glucuronide (English)

19 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

1 reference

Estrone glucuronide (English)

19 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=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

A community-driven global reconstruction of human metabolism.

Estrone glucuronide (English)

19 October 2016

1 reference

Identifiers

InChI

InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1

1 reference

Estrone glucuronide (English)

19 October 2016

2 references

Estrone glucuronide (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2479-90-5

2 references

Global Substance Registration System

UNII

933Q277TO2

estrone glucuronide (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=2479-90-5

9 April 2021

1 reference

17-Oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid (English)

19 October 2016

2 references

Estrone glucuronide (English)

19 October 2016

ChEBI ID

28919

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1

1 reference

splash10-00kb-0150900000-78a9ec4beb4fe22a8735

CHEMBL1232444 (English)

19 October 2016

1 reference

MassBank accession ID

SM832552

0 references

SPLASH

0 references

DSSTox substance ID

DTXSID20891497

1 reference

DSSTOX compound identifier

DTXCID501030598

0 references

Human Metabolome Database ID

HMDB0004483

2 references

based on heuristic

inferred from InChIKey

UNII

933Q277TO2

2 references

Global Substance Registration System

UNII

933Q277TO2

estrone glucuronide (English)

19 October 2016

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

0 references

1 reference

30 June 2018

1 reference

Immune Epitope Database and Analysis Resource

1 March 2022

0 references

Google Knowledge Graph ID

0 references

1 reference

1CFV (English)