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17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside

MNXM165542 is deprecated and here replaced by MNXM730919
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM730919

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₂H₄₅NO₁₃

charge

mass

651.28909

reference

keggC:C04806

InChIKey

BHYDXVJSMVVTCR-NQRZIZCBSA-N

InChI

InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17?,18?,19?,20-,21-,22-,23-,24-,25+,26+,27-,28+,30+,31-,32?/m1/s1

SMILES

CC(=O)N[C@H]1[C@H](O[C@@H]2CCC3C4CCc5cc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)ccc5C4CCC32C)O[C@H](CO)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C04806 keggC:C04806	17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
lipidmaps:LMST05010006 lipidmapsM:LMST05010006	17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronide 17-(N-Acetyl-D-glucosaminyl)-estra-1,3,5(10)-triene-3,17alpha-diol 3-D-glucuronide HexNAc O8 ST 24:5
keggC:M_C04806	secondary/obsolete/fantasy identifier