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gadoteric acid

PropertiesImage
MNX_IDMNXM156235 Image of MNXM156235
referencechebi:73732
formulaC16H25GdN4O8
global charge0
mol weight558.646
InChIKeyGFSTXYOTEVLASN-UHFFFAOYSA-K
InChIInChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
SMILESO=C([O-])C[N+]12CC[N+]3(CC(=O)[O-])CC[N+]4(CC(=O)O)CC[N+](CC(=O)[O-])(CC1)[Gd-]234
MNX internals
InChI (mnx)InChI=1/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3 Image of MNXM156235
SMILES (mnx)[CH2:1]1[CH2:2][N:18]([CH2:10][C:14](=[O:23])[OH:24])[CH2:5][CH2:6][N:20]([CH2:12][C:16](=[O:27])[OH:28])[CH2:8][CH2:7][N:19]([CH2:11][C:15](=[O:25])[OH:26])[CH2:4][CH2:3][N:17]1[CH2:9][C:13](=[O:21])[OH:22].[Gd+3:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73732
chebi:73732
GFSTXYOTEVLASN-UHFFFAOYSA-K 		gadoteric acid
DOTA-Gd
Gd-DOTA
[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-kappa(4)N(1),N(4),N(7),N(10))tetraacetato(3-)]gadolinium

kegg.drug:D08007
keggD:D08007
GFSTXYOTEVLASN-UHFFFAOYSA-K 		Gadoteric acid (INN)
Artirem (TN)
hmdb:HMDB0240289
GFSTXYOTEVLASN-UHFFFAOYSA-N 		Gadoteric acid
1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraaza-13-gadolinatetracyclo[5.5.1.0^{4,13}.0^{10,13}]tridecane-1,4,7,10-tetraium-13-uide
Gadoterate

CHEBI:73735
chebi:73735
GFSTXYOTEVLASN-UHFFFAOYSA-J 		gadoterate
[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-kappa(4)N(1),N(4),N(7),N(10))tetraacetato(4-)]gadolinate(1-)

keggD:M_D08007 		secondary/obsolete/fantasy identifier