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GDP-D-mannuronate

MNXM2233 is deprecated and here replaced by MNXM732693
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732693 Image of MNXM732693
referencechebi:17466
formulaC16H20N5O17P2
global charge-3
mol weight616.302
InChIKeyDNBSDUDYNPJVCN-MVUGPJFESA-K
InChIInChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/p-3/t3-,5-,6+,7+,8-,9+,10+,13-,15?/m1/s1
SMILESNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/t3-,5-,6+,7+,8-,9+,10+,13-,15?/m1/s1 Image of MNXM732693
SMILES (mnx)[CH2:1]([C@@H:3]1[C@@H:5]([OH:22])[C@@H:8]([OH:25])[C@H:13]([N:21]2[CH:2]=[N:18][C:4]3=[C:11]2[NH:19][C:16](=[NH:17])[N:20]=[C:12]3[OH:27])[O:35]1)[O:34][P:39]([OH:30])(=[O:31])[O:38][P:40]([OH:32])(=[O:33])[O:37][CH:15]1[C@@H:9]([OH:26])[C@@H:6]([OH:23])[C@H:7]([OH:24])[C@@H:10]([C:14](=[O:28])[OH:29])[O:36]1
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:17466
chebi:17466
DNBSDUDYNPJVCN-MVUGPJFESA-K 		GDP-D-mannuronate
guanosine 5'-[3-(D-mannopyranosyluronate) diphosphate]

CHEBI:21161
chebi:21161
DNBSDUDYNPJVCN-MVUGPJFESA-N 		GDP-D-mannuronic acid
guanosine 5'-[3-(D-mannopyranosyluronic acid) dihydrogen diphosphate]
hmdb:HMDB0304366
DNBSDUDYNPJVCN-MVUGPJFESA-K 		GDP-mannuronate
(2S,3S,4S,5S)-6-{[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
GDP-D-Mannuronic acid
GDP-Mannuronic acid
gdp-D-mannuronate

chebi:13334
chebi:21160
chebi:5220 		secondary/obsolete/fantasy identifier