(Q27137208)

Dehydroepiandrosterone 3-glucuronide (English)

7 October 2016

chemical formula

C₂₅H₃₆O₈

1 reference

Dehydroepiandrosterone 3-glucuronide (English)

7 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C

1 reference

Dehydroepiandrosterone 3-glucuronide (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C

1 reference

Dehydroepiandrosterone 3-glucuronide (English)

InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

Dehydroepiandrosterone 3-glucuronide (English)

GLONBVCUAVPJFV-PCDHEYSGSA-N

7 October 2016

InChIKey

2 references

Dehydroepiandrosterone 3-glucuronide (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta)-17-Oxoandrost-5-en-3-yl beta-D-glucopyranosiduronic acid (English)

7 October 2016

1 reference

Dehydroepiandrosterone 3-glucuronide (English)

7 October 2016

Reaxys registry number

66896

1 reference

dehydroisoandrosterone 3-glucuronide (English)

7 October 2016

ChEBI ID

68834

mapping relation type

1 reference

dehydroisoandrosterone 3-glucuronide (English)

7 October 2016

1 reference