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NAD(P)H

PropertiesImage
MNX_IDMNXM162231 Image of MNXM162231
referencemetacycM:NADH-P-OR-NOP
formulaC21H26N7O14P2*
global charge-2
mol weight 
InChIKey 
InChI 
SMILES[*]O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CCC(C(N)=O)=C3)[C@H](O)[C@@H]2O)O[C@H]1n1cnc2c(N)ncnc21
MNX internals
InChI (mnx)InChI=1/C22H31N7O14P2/c1-38-17-15(31)12(42-22(17)29-9-27-13-18(23)25-8-26-20(13)29)7-40-45(36,37)43-44(34,35)39-6-11-14(30)16(32)21(41-11)28-4-2-3-10(5-28)19(24)33/h2,4-5,8-9,11-12,14-17,21-22,30-32H,3,6-7H2,1H3,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,21-,22-/m1/s1/i1+1 Image of MNXM162231
SMILES (mnx)[13CH:1]1=[CH:3][N:27]([C@H:20]2[C@@H:15]([OH:31])[C@@H:13]([NH2:29])[C@H:10]([CH2:5][O:38][O:43](=[O:34])([OH:35])[O:42][P:44](=[O:36])([OH:37])[O:39][CH2:6][C@@H:11]3[C@@H:14]([OH:30])[C@@H:16]([O:32][PH2:45])[C@H:21]([n:28]4[cH:8][n:26][c:12]5[c:17]([CH3:22])[n:24][cH:7][n:25][c:19]54)[O:41]3)[O:40]2)[CH:4]=[C:9]([C:18]([NH2:23])=[O:33])[CH2:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)474
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:NADH-P-OR-NOP
metacycM:NADH-P-OR-NOP
NAD(P)H
beta-NAD(P)H

seed.compound:cpd27640
seedM:cpd27640
NADH-P-OR-NOP

seedM:M_cpd27640
secondary/obsolete/fantasy identifier