**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

2-({5-cyano-7-[(1S,2S,3R,4R)-2,3-dihydroxy-4-[(phosphonatooxy)methyl]cyclopentyl]-3H,4H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)butanedioate

Properties Image Occurences in reactions MNX_ID MNXM12966 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C16H14N5O11P charge -4 mass 483.285 reference seedM:cpd23737 InChIKey MQSLUNXYBIVDLF-QSUQREFDSA-J InChI InChI=1S/C16H18N5O11P/c17-2-6-3-21(15-12(25)11(24)8(32-15)4-31-33(28,29)30)14-10(6)13(18-5-19-14)20-7(16(26)27)1-9(22)23/h3,5,7-8,11-12,15,24-25H,1,4H2,(H,22,23)(H,26,27)(H,18,19,20)(H2,28,29,30)/p-4/t7?,8-,11-,12-,15?/m1/s1 SMILES [CH2:1]([CH:7]([C:16](=[O:26])[OH:27])[NH:20][c:13]1[c:10]2[c:6]([C:2]#[N:17])[cH:3][n:21]([CH:15]3[C@H:12]([OH:25])[C@H:11]([OH:24])[C@@H:8]([CH2:4][O:31][P:33]([OH:28])([OH:29])=[O:30])[O:32]3)[c:14]2[n:19][cH:5][n:18]1)[C:9](=[O:22])[OH:23]

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Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd23737 seedM:cpd23737	2-({5-cyano-7-[(1S,2S,3R,4R)-2,3-dihydroxy-4-[(phosphonatooxy)methyl]cyclopentyl]-3H,4H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)butanedioate succinylo-toyocamycin phosphate
metacyc.compound:CPD-13099 metacycM:CPD-13099	succinylo-toyocamycin phosphate 2-({5-cyano-7-[(1S,2S,3R,4R)-2,3-dihydroxy-4-[(phosphonatooxy)methyl]cyclopentyl]-3H,4H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)butanedioate
seedM:M_cpd23737	secondary/obsolete/fantasy identifier