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Morphine-3-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM741080

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

formula

C₂₃H₂₇NO₉

charge

mass

461.16858

reference

chebi:80631

InChIKey

WAEXKFONHRHFBZ-ZXDZBKESSA-N

InChI

InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1

SMILES

CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:24768 sabiorkM:24768 seed.compound:cpd16446 seedM:cpd16446 CHEBI:80631 chebi:80631 kegg.compound:C16643 keggC:C16643	Morphine-3-glucuronide
hmdb:HMDB0041936	Morphine-3-glucuronide (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-14-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-10-yl]oxy}oxane-2-carboxylic acid Morphine 3-glucuronide(minor) Morphine-3beta-D-glucuronide morphine-3-glucuronide
hmdb:HMDB41936 keggC:M_C16643 seedM:M_cpd16446	secondary/obsolete/fantasy identifier