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losartan-2-N-beta-D-glucuronide

PropertiesImage
MNX_IDMNXM127424 Image of MNXM127424
referencechebi:149507
formulaC28H30ClN6O7
global charge-1
mol weight598.036
InChIKeyNGFMQMUIOUSHGR-RTCYWULBSA-M
InChIInChI=1S/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-33-35(32-26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/p-1/t21-,22-,23+,24-,27+/m0/s1
SMILESCCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C2=CC=CC=C2C2=NN([C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)N=N2)C=C1
MNX internals
InChI (mnx)InChI=1/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-33-35(32-26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/t21-,22-,23+,24-,27+/m0/s1 Image of MNXM127424
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:8][C:20]1=[N:30][C:25]([Cl:29])=[C:19]([CH2:14][OH:36])[N:34]1[CH2:13][C:15]1=[CH:10][CH:12]=[C:16]([C:17]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:18]2[C:26]2=[N:32][N:35]([C@H:27]3[C@H:23]([OH:39])[C@@H:21]([OH:37])[C@H:22]([OH:38])[C@@H:24]([C:28](=[O:40])[OH:41])[O:42]3)[N:33]=[N:31]2)[CH:11]=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:149507
chebi:149507
NGFMQMUIOUSHGR-RTCYWULBSA-M 		losartan-2-N-beta-D-glucuronide
losartan-2-N-beta-D-glucuronide(1-)
hmdb:HMDB0013847
NGFMQMUIOUSHGR-RTCYWULBSA-N 		Losartan N2-glucuronide
(2S,3S,4S,5R,6R)-6-[5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}-[1,1'-biphenyl]-2-yl)-2H-1,2,3,4-tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4S,5R,6R)-6-{5-[2-(4-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-{5-[2-(4-{[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl}phenyl)phenyl]-1,2,3,4-tetrazol-2-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid

vmhM:lstnm7
vmhmetabolite:lstnm7
NGFMQMUIOUSHGR-RTCYWULBSA-M 		Losartan-N2-glucuronide / Losartan-M7

CHEBI:229823
chebi:229823
NGFMQMUIOUSHGR-RTCYWULBSA-N 		losartan n2-glucuronide
(2S,3S,4S,5R,6R)-6-[5-[2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

hmdb:HMDB13847
vmhM:M_lstnm7 		secondary/obsolete/fantasy identifier