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GDP-valienol

MNXM162475 is deprecated and replaced by MNXM1100831
PropertiesImage
MNX_IDMNXM1100831 Image of MNXM1100831
referencechebi:91253
formulaC17H23N5O15P2
global charge-2
mol weight599.339
InChIKeySBXHHXUHVHYPDE-WPOGMVEHSA-L
InChIInChI=1S/C17H25N5O15P2/c18-17-20-14-8(15(29)21-17)19-4-22(14)16-13(28)11(26)7(35-16)3-34-38(30,31)37-39(32,33)36-6-1-5(2-23)9(24)12(27)10(6)25/h1,4,6-7,9-13,16,23-28H,2-3H2,(H,30,31)(H,32,33)(H3,18,20,21,29)/p-2/t6-,7+,9+,10-,11+,12-,13+,16+/m0/s1
SMILESNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C17H25N5O15P2/c18-17-20-14-8(15(29)21-17)19-4-22(14)16-13(28)11(26)7(35-16)3-34-38(30,31)37-39(32,33)36-6-1-5(2-23)9(24)12(27)10(6)25/h1,4,6-7,9-13,16,23-28H,2-3H2,(H,30,31)(H,32,33)(H3,18,20,21,29)/t6-,7+,9+,10-,11+,12-,13+,16+/m0/s1 Image of MNXM1100831
SMILES (mnx)[CH:1]1=[C:5]([CH2:2][OH:23])[C@@H:9]([OH:24])[C@H:12]([OH:27])[C@@H:10]([OH:25])[C@H:6]1[O:36][P:39]([OH:32])(=[O:33])[O:37][P:38]([OH:30])(=[O:31])[O:34][CH2:3][C@@H:7]1[C@@H:11]([OH:26])[C@@H:13]([OH:28])[C@H:16]([N:22]2[CH:4]=[N:19][C:8]3=[C:14]2[NH:20][C:17](=[NH:18])[N:21]=[C:15]3[OH:29])[O:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91253
chebi:91253
SBXHHXUHVHYPDE-WPOGMVEHSA-L 		GDP-valienol
5'-O-{[({[(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]oxy}phosphinato)oxy]phosphinato}guanosine
GDP-valienol(2-)

metacyc.compound:CPD-18787
metacycM:CPD-18787
seed.compound:cpd34998
seedM:cpd34998
kegg.compound:C21368
keggC:C21368
SBXHHXUHVHYPDE-WPOGMVEHSA-L
SBXHHXUHVHYPDE-WPOGMVEHSA-N 		GDP-valienol

CHEBI:128754
chebi:128754
SBXHHXUHVHYPDE-WPOGMVEHSA-N 		GDP-valienol
5'-O-{hydroxy[(hydroxy{[(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]oxy}phosphoryl)oxy]phosphoryl}guanosine

keggC:M_C21368
seedM:M_cpd34998 		secondary/obsolete/fantasy identifier