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androsterone 3-glucosiduronic acid

MNXM7068 is deprecated and here replaced by MNXM1103774
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103774

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₂₅H₃₈O₈

charge

mass

466.25667

reference

chebi:28832

InChIKey

VFUIRAVTUVCQTF-BSOWLZGZSA-N

InChI

InChI=1S/C25H38O8/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/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28832 chebi:28832	androsterone 3-glucosiduronic acid (3alpha,5alpha)-17-oxoandrostan-3-yl beta-D-glucopyranosiduronic acid 3alpha-hydroxy-5alpha-androstan-17-one glucuronide Androsterone 3-glucuronide Androsterone glucosiduronate Androsterone glucuronide Etiocholanolone glucuronide androsterone glucuronoside
lipidmaps:LMST05010013 lipidmapsM:LMST05010013	Androsterone 3-glucuronide 3alpha-hydroxy-5alpha-androstan-17-one 3-D-glucuronide GlcA O2 ST 19:1
bigg.metabolite:andrstrnglc biggM:andrstrnglc	Androsterone glucuronide
hmdb:HMDB0002829	Androsterone glucuronide (2S,3S,4S,5R,6R)-6-{[(1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (3alpha,5alpha)-17-Oxoandrostan-3-yl beta-D-glucopyranosiduronic acid 3a-Hydroxy-5a-androstan-17-one glucuronide 3alpha-Hydroxy-5alpha-androstan-17-one glucuronide 3alpha-hydroxy-5alpha-androstan-17-one glucuronide 5a-Androstan-3a-ol-17-one glucuronide Androsterone 3-glucuronide Androsterone glucosiduronate Androsterone glucosiduronic acid Androsterone glucuronide, (3beta,5alpha)-isomer Androsterone glucuronide, (beta-D)-isomer Androsterone glucuronide, sodium salt, (3alpha,5alpha)-isomer Androsterone glucuronide, sodium salt, (3alpha,5beta)-isomer Androsterone glucuronoside Androsterone monoglucosiduronate Etiocholanolone glucuronide b-D-17-oxo-5a-Androstan-3a-yl glucopyranosiduronic acid etiocholanolone glucuronide
seed.compound:cpd08017 seedM:cpd08017 kegg.compound:C11135 keggC:C11135	Androsterone glucuronide Androsterone 3-glucuronide
hmdb:HMDB02829 chebi:22556 chebi:2715 biggM:M_andrstrnglc keggC:M_C11135 seedM:M_cpd08017	secondary/obsolete/fantasy identifier