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Dopamine glucuronide

PropertiesImage
MNX_IDMNXM1105746 Image of MNXM1105746
referencechebi:88776
formulaC14H19NO8
global charge0
mol weight329.305
InChIKeyCQASRCDNLNMIJY-BYNIDDHOSA-N
InChIInChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
SMILESNCCC1=CC(O)=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 Image of MNXM1105746
SMILES (mnx)[CH:1]1=[CH:2][C:8]([O:22][C@H:14]2[C@H:11]([OH:19])[C@@H:9]([OH:17])[C@H:10]([OH:18])[C@@H:12]([C:13](=[O:20])[OH:21])[O:23]2)=[C:7]([OH:16])[CH:5]=[C:6]1[CH2:3][CH2:4][NH2:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88776
chebi:88776
CQASRCDNLNMIJY-BYNIDDHOSA-N 		Dopamine glucuronide
(2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-(2-Aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronate
4-(2-Aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronic acid
4-(2-Aminoethyl)-2-hydroxyphenyl beta-delta-Glucopyranosiduronic acid
4-(2-Aminoethyl)-2-hydroxyphenyl beta-delta-glucopyranosiduronate
Dopamine-4-O-glucuronide
hmdb:HMDB0010329
CQASRCDNLNMIJY-BYNIDDHOSA-N 		Dopamine glucuronide
(2S,3S,4S,5R,6S)-6-[4-(2-Aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-(2-Aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronate
4-(2-Aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronic acid
4-(2-Aminoethyl)-2-hydroxyphenyl beta-delta-glucopyranosiduronate
4-(2-Aminoethyl)-2-hydroxyphenyl beta-delta-glucopyranosiduronic acid
Dopamine-4-O-glucuronide
dopamine glucuronide

bigg.metabolite:dopa4glcur
biggM:dopa4glcur
CQASRCDNLNMIJY-BYNIDDHOSA-N 		Dopamine-4-O-Glucuronide

vmhM:dopa4glcur
vmhmetabolite:dopa4glcur
CQASRCDNLNMIJY-BYNIDDHOSA-N 		Dopamine-4-O-Glucuronide
(2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

hmdb:HMDB10329
biggM:M_dopa4glcur
vmhM:M_dopa4glcur 		secondary/obsolete/fantasy identifier