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CHEBI:64074 - (S)-NADHX(2−)

ChEBI IDCHEBI:64074
ChEBI Name(S)-NADHX(2−)
Stars
ASCII Name(S)-NADHX(2-)
DefinitionA doubly-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (S)-NADHX; major species at pH 7.3.
Last Modified2 August 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H29N7O15P2
Net Charge-2
Average Mass681.445
Monoisotopic Mass681.12078
SMILESNC(=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@@H](O)CC1
InChIInChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/p-2/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyIDBZKGQRLBFUFQ-VPHRTNKSSA-L
ChEBI Ontology
Outgoing Relation(s)
(S)-NADHX(2−) (CHEBI:64074) has functional parent NADH(2−) (CHEBI:57945)
(S)-NADHX(2−) (CHEBI:64074) is a nucleotide-sugar oxoanion (CHEBI:59737)
(S)-NADHX(2−) (CHEBI:64074) is conjugate base of (S)-NADHX(1−) (CHEBI:57458)
Incoming Relation(s)
(S)-NADHX(1−) (CHEBI:57458) is conjugate acid of (S)-NADHX(2−) (CHEBI:64074)
UniProt Name  Source
(6S)-NADHXUniProt
Manual XrefsDatabases
CPD-653MetaCyc
Citations