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Morphine-6-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM741082

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

formula

C₂₃H₂₇NO₉

charge

mass

461.16858

reference

chebi:80581

InChIKey

GNJCUHZOSOYIEC-GAROZEBRSA-N

InChI

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

SMILES

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)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:26953 sabiorkM:26953 seed.compound:cpd16392 seedM:cpd16392 CHEBI:80581 chebi:80581 kegg.compound:C16578 keggC:C16578	Morphine-6-glucuronide
hmdb:HMDB0041937	Morphine-6-glucuronide (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-yl]oxy}oxane-2-carboxylic acid Morphine 6-glucuronide(minor) Morphine-6beta-glucuronide morphine-6-glucuronide
hmdb:HMDB41937 keggC:M_C16578 seedM:M_cpd16392	secondary/obsolete/fantasy identifier