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thio-NAD

MNXM162777 is deprecated and here replaced by MNXM1102098
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1102098Image of MNXM1102098
#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
formulaC21H26N7O13P2S
charge-1
mass678.079
referencemetacycM:CPD-19562
InChIKeyUQYPZLRUJKCREN-NNYOXOHSSA-M
InChIInChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/p-1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
SMILESNC(=S)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-19562
metacycM:CPD-19562
seed.compound:cpd35283
seedM:cpd35283 		thio-NAD
thionicotinamide-NAD
sabiork.compound:22888
sabiorkM:22888 		thio-NAD+
beta-Thio-NAD+
seedM:M_cpd35283 secondary/obsolete/fantasy identifier