(Q27148821)

3-O-(Carboxymethyl)estrone (English)

8 October 2016

chemical formula

C₂₀H₂₄O₄

1 reference

3-O-(Carboxymethyl)estrone (English)

20 November 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O

1 reference

3-O-(Carboxymethyl)estrone (English)

20 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O

1 reference

3-O-(Carboxymethyl)estrone (English)

InChI=1S/C20H24O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1

20 November 2016

Identifiers

InChI

1 reference

3-O-(Carboxymethyl)estrone (English)

XSDCLHQDGODZPZ-WWNBULGVSA-N

20 November 2016

InChIKey

2 references

3-O-(Carboxymethyl)estrone (English)

Global Substance Registration System

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1428-66-6

1 reference

stated in

UNII

5GZK739RKY

3-O-(carboxymethyl)estrone (English)

20 November 2016

1 reference

((17-oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid (English)

20 November 2016

1 reference

3-O-(Carboxymethyl)estrone (English)

20 November 2016

ChEBI ID

79692

mapping relation type

1 reference

CHEMBL2000021 (English)

20 November 2016

1 reference

Global Substance Registration System

CHEMBL2000021 (English)

20 November 2016

1 reference

0 references

0 references

1 reference

UNII

5GZK739RKY

3-O-(carboxymethyl)estrone (English)

20 November 2016

0 references

1 reference

Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid (English)