CHEBI:77176 - α-NADH(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-NADH(2−)
ChEBI ID CHEBI:77176
ChEBI ASCII Name alpha-NADH(2-)
Definition An organophosphate oxoanion obtained by deprotonation of the two diphosphate OH groups of α-NADH; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
KAX
Secondary ChEBI IDs CHEBI:77668
Supplier Information
Download Molfile XML SDF
Formula C21H27N7O14P2
Net Charge -2
Average Mass 663.42620
Monoisotopic Mass 663.11022
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
InChIKey BOPGDPNILDQYTO-OPDHFMQKSA-L
SMILES NC(=O)C1=CN(C=CC1)[C@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing α-NADH(2−) (CHEBI:77176) is a organophosphate oxoanion (CHEBI:58945)
α-NADH(2−) (CHEBI:77176) is conjugate base of α-NADH (CHEBI:77311)
Incoming α-NADH (CHEBI:77311) is conjugate acid of α-NADH(2−) (CHEBI:77176)
Synonym Source
α-NADH UniProt
Manual Xref Database
CPD-16006 MetaCyc
View more database links
Last Modified
17 April 2014