MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Morphine-6-glucuronide

MNXM741083 is deprecated and replaced by MNXM741082

	Properties	Image
MNX_ID	MNXM741082
reference	chebi:80581
formula	C₂₃H₂₇NO₉
global charge	0
mol weight	461.467
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@]23C4=C5O[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]1CC4=CC=C5O

MNX internals

InChI (mnx)	InChI=1/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 (mnx)	[CH3:1][N:24]1[CH2:7][CH2:6][C@@:23]23[C@H:10]4[CH:3]=[CH:5][C@H:13]([O:31][C@H:22]5[C@H:17]([OH:28])[C@@H:15]([OH:26])[C@H:16]([OH:27])[C@@H:19]([C:21](=[O:29])[OH:30])[O:33]5)[C@@H:20]2[O:32][C:18]2=[C:12]([OH:25])[CH:4]=[CH:2][C:9](=[C:14]23)[CH2:8][C@H:11]41

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd16392 seedM:cpd16392 sabiork.compound:26953 sabiorkM:26953 CHEBI:80581 chebi:80581 kegg.compound:C16578 keggC:C16578 GNJCUHZOSOYIEC-GAROZEBRSA-N	Morphine-6-glucuronide
vmhM:mrphn_6glc vmhmetabolite:mrphn_6glc GNJCUHZOSOYIEC-GAROZEBRSA-N	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-carboxyl
hmdb:HMDB0041937 GNJCUHZOSOYIEC-GAROZEBRSA-N	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 vmhM:M_mrphn_6glc	secondary/obsolete/fantasy identifier