Aandrostanediol glucuronide (Q19903293)

LMST05010037 (English)

17-Hydroxyandrostane-3-glucuronide

21 September 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₀O₈

1 reference

LMST05010037 (English)

21 September 2016

canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O

1 reference

LMST05010037 (English)

21 September 2016

isomeric SMILES

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

1 reference

LMST05010037 (English)

InChI=1S/C25H40O8/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/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

21 September 2016

Identifiers

InChI

1 reference

LMST05010037 (English)

21 September 2016

1 reference

CAS (formerly Chemical Abstracts Service)

LMST05010037 (English)

21 September 2016

1 reference

25 January 2022

1 reference

(3alpha,5alpha,17beta)-17-Hydroxyandrostan-3-yl beta-D-glucopyranosiduronic acid (English)

21 September 2016

2 references

LMST05010037 (English)

21 September 2016

ChEBI ID

88730

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C25H40O8/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/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

1 reference

1 reference

UNII

UN7QBZ76AB

1 reference

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

1 reference

15 January 2022