NAD+

chemical compound

Wikidata entity: Q26987253

C₂₁H₂₈N₇O₁₄P₂⁺ (P274)


Quantities

P2067mass664.1163982560901
P2067mass664.116947

P233 canonical SMILES String C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N ???
P4149 conjugate base ... Q71535049 (NAD zwitterion) NAD zwitterion
P703 found in taxon ... Q25419 (Escherichia coli) Escherichia coli
P703 found in taxon ... Q91703 (Caenorhabditis elegans) Caenorhabditis elegans
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N ???
P361 part of ... Q14878308 (NAD+ binding) NAD+ binding
P361 part of ... Q14911936 (NADH oxidation) NADH oxidation
P361 part of ... Q15321388 (NAD metabolic process) NAD metabolic process
P361 part of ... Q21095676 (canonical glycolysis) canonical glycolysis
P361 part of ... Q21103184 (glycerophosphate shuttle) glycerophosphate shuttle
P361 part of ... Q22275639 (NADH regeneration) NADH regeneration
P361 part of ... Q22275662 (sulphoglycolysis) sulphoglycolysis
P361 part of ... Q22316136 (pyruvate dehydrogenase (NAD+) activity) pyruvate dehydrogenase (NAD+) activity
P361 part of ... Q12499775 (nicotinamide adenine dinucleotide) nicotinamide adenine dinucleotide
P279 subclass of ... Q36496 (ion) ion
P279 subclass of ... Q12499775 (nicotinamide adenine dinucleotide) nicotinamide adenine dinucleotide
P2868 subject has role ... Q407595 (metabolite) metabolite
External Ids
P231CAS Registry Number76961-04-1
P683ChEBI ID15846
P661ChemSpider ID5682
P715DrugBank IDDB01907
P1578Gmelin number544242
P2057Human Metabolome Database IDHMDB0000902
P234InChIInChI=1S/C21H27N7O14P2/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/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
P235InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-O
P665KEGG IDC00003
P665KEGG IDD00002
P6689MassBank accession IDMSBNK-IPB_Halle-PB006001
P6689MassBank accession IDMSBNK-IPB_Halle-PB006002
P6689MassBank accession IDMSBNK-IPB_Halle-PB006003
P6689MassBank accession IDMSBNK-NAIST-KNA00201
P6689MassBank accession IDMSBNK-NAIST-KNA00202
P6689MassBank accession IDMSBNK-NAIST-KNA00203
P6689MassBank accession IDMSBNK-NAIST-KNA00204
P6689MassBank accession IDMSBNK-NAIST-KNA00288
P6689MassBank accession IDMSBNK-NAIST-KNA00289
P6689MassBank accession IDMSBNK-NAIST-KNA00290
P6689MassBank accession IDMSBNK-NAIST-KNA00291
P6689MassBank accession IDMSBNK-NAIST-KNA00600
P6689MassBank accession IDMSBNK-NAIST-KNA00601
P6689MassBank accession IDMSBNK-NAIST-KNA00602
P6689MassBank accession IDMSBNK-NAIST-KNA00603
P6689MassBank accession IDMSBNK-NAIST-KNA00688
P6689MassBank accession IDMSBNK-NAIST-KNA00689
P6689MassBank accession IDMSBNK-NAIST-KNA00690
P6689MassBank accession IDMSBNK-NAIST-KNA00691
P11199Probes And Drugs IDPD062453
P662PubChem CID5893
P1579Reaxys registry number4120619
P1579Reaxys registry number3584133
P4964SPLASHsplash10-0006-0000090000-2198156fad6a6ec8c79e
P4964SPLASHsplash10-000i-0900000000-ec77ba41ae7dbcfd08a2
P4964SPLASHsplash10-000i-0901100000-4e60f64943ec584bc2ab
P4964SPLASHsplash10-000i-0910232000-6d74320f8bf57910da41
P4964SPLASHsplash10-000i-0910400000-b6cec3ae4086923b3579
P4964SPLASHsplash10-002f-3311290000-7b717e20fbb69f53b48c
P4964SPLASHsplash10-002r-0930610000-ccd233f26036136ba3e8
P4964SPLASHsplash10-004i-0300900000-ebe6ce6bd16a4d6ca77a
P4964SPLASHsplash10-03di-0000009000-03475e9367c5491fcd04
P4964SPLASHsplash10-03di-0000029000-870aa620464a4fedbe8d
P4964SPLASHsplash10-03xr-0000009000-171931016c5ff827ac76
P2877SureChEMBL ID14478781
P2877SureChEMBL ID30034765
P2877SureChEMBL ID30902762
P11089UniChem compound ID1067836

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