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2-GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane

MNXM148254 is deprecated and replaced by MNXM1100787
PropertiesImage
MNX_IDMNXM1100787 Image of MNXM1100787
referencechebi:131639
formulaC16H23N6O13P2
global charge-1
mol weight569.337
InChIKeyCWINBXDYHKMJMR-FFJBUIDMSA-M
InChIInChI=1S/C16H24N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h4-5,7-8,10-11,14-15,17,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/p-1/t5-,7+,8-,10-,11-,14-,15-/m1/s1
SMILESC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)CC1=[NH2+]
MNX internals
InChI (mnx)InChI=1/C16H24N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h4-5,7-8,10-11,14-15,17,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/b17-6?/t5-,7+,8-,10-,11-,14-,15-/m1/s1 Image of MNXM1100787
SMILES (mnx)[CH3:1][C@@H:5]1[C:6](=[NH:17])[CH2:2][C@H:7]([OH:23])[C@@H:15]([O:34][P:37]([OH:29])(=[O:30])[O:35][P:36]([OH:27])(=[O:28])[O:31][CH2:3][C@@H:8]2[C@@H:10]([OH:24])[C@@H:11]([OH:25])[C@H:14]([N:22]3[CH:4]=[N:19][C:9]4=[C:12]3[NH:20][C:16](=[NH:18])[N:21]=[C:13]4[OH:26])[O:33]2)[O:32]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:131639
chebi:131639
CWINBXDYHKMJMR-FFJBUIDMSA-M 		2-GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane
GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane(1-)

metacyc.compound:CPD-16408
metacycM:CPD-16408
seed.compound:cpd34644
seedM:cpd34644
CWINBXDYHKMJMR-FFJBUIDMSA-L
CWINBXDYHKMJMR-FFJBUIDMSA-M 		2-GDP-[(2S,3S,6R)-5-imino-6-methyloxan-3-ol]

seedM:M_cpd34644 		secondary/obsolete/fantasy identifier