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alpha-NADH

Properties

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Occurences in reactions

MNX_ID

MNXM146525

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₂₇N₇O₁₄P₂

charge

-2

mass

663.11022

reference

chebi:77176

InChIKey

BOPGDPNILDQYTO-OPDHFMQKSA-L

InChI

InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1

SMILES

NC(=O)C1=CN([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)C=CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77176 chebi:77176	alpha-NADH alpha-NADH(2-)
sabiork.compound:26128 sabiorkM:26128 metacyc.compound:CPD-16006 metacycM:CPD-16006 seed.compound:cpd31316 seedM:cpd31316 CHEBI:77311 chebi:77311 kegg.compound:C20744 keggC:C20744	alpha-NADH
chebi:77668 keggC:M_C20744 seedM:M_cpd31316	secondary/obsolete/fantasy identifier