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aminodeoxyfutalosinate

PropertiesImage
MNX_IDMNXM41844 Image of MNXM41844
referencechebi:64286
formulaC19H18N5O6
global charge-1
mol weight412.382
InChIKeyJSTYUEOJPRFLHR-SCFUHWHPSA-M
InChIInChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/p-1/t12-,14-,15-,18-/m1/s1
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)c2cccc(C(=O)[O-])c2)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 Image of MNXM41844
SMILES (mnx)[cH:1]1[cH:2][c:9]([C:11]([CH2:4][CH2:5][C@@H:12]2[C@@H:14]([OH:26])[C@@H:15]([OH:27])[C@H:18]([n:24]3[cH:8][n:23][c:13]4[c:16]([NH2:20])[n:21][cH:7][n:22][c:17]43)[O:30]2)=[O:25])[cH:6][c:10]([C:19](=[O:28])[OH:29])[cH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64286
chebi:64286
JSTYUEOJPRFLHR-SCFUHWHPSA-M 		aminodeoxyfutalosinate
3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoate
6-amino-6-deoxyfutalosine
aminodeoxyfutalosinate anion
aminodeoxyfutalosinate(1-)

kegg.compound:C20773
keggC:C20773
vmhM:6adxft
vmhM:6adxft
vmhmetabolite:6adxft
vmhmetabolite:6adxft
JSTYUEOJPRFLHR-SCFUHWHPSA-N 		6-Amino-6-deoxyfutalosine

seed.compound:cpd23834
seedM:cpd23834
JSTYUEOJPRFLHR-SCFUHWHPSA-M 		6-amino-6-deoxyfutalosine
6-Amino-6-deoxyfutalosine
aminodeoxyfutalosinate

metacyc.compound:CPD-13324
metacycM:CPD-13324
JSTYUEOJPRFLHR-SCFUHWHPSA-M 		6-amino-6-deoxyfutalosine
aminodeoxyfutalosinate

CHEBI:64260
chebi:64260
JSTYUEOJPRFLHR-SCFUHWHPSA-N 		aminodeoxyfutalosine
3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid
AFL

keggC:M_C20773
seedM:M_cpd23834
vmhM:M_6adxft 		secondary/obsolete/fantasy identifier