NAD(1-) (CHEBI:57540)

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CHEBI:57540 - NAD(1−)

ChEBI ID	CHEBI:57540
ChEBI Name	NAD(1−)
Stars
ASCII Name	NAD(1-)
Definition	An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.
Last Modified	26 July 2019
Downloads	Molfile

Formula	C21H26N7O14P2
Net Charge	-1
Average Mass	662.422
Monoisotopic Mass	662.10185
SMILES	NC(=O)c1ccc[n+]([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)c1
InChI	InChI=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
InChIKey	BAWFJGJZGIEFAR-NNYOXOHSSA-M

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net

Roles Classification

Chemical Role:

electron acceptor A substance to which an electron may be transferred.

Biological Roles:

cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	NAD(1−) (CHEBI:57540) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	NAD(1−) (CHEBI:57540) has role cofactor (CHEBI:23357)
	NAD(1−) (CHEBI:57540) has role human metabolite (CHEBI:77746)
	NAD(1−) (CHEBI:57540) is a hydrogen acceptor (CHEBI:13193)
	NAD(1−) (CHEBI:57540) is a organophosphate oxoanion (CHEBI:58945)
	NAD(1−) (CHEBI:57540) is conjugate base of NAD⁺ (CHEBI:15846)
Incoming Relation(s)
	5'-end NAD(1−) residue (CHEBI:143906) has functional parent NAD(1−) (CHEBI:57540)
	NAD⁺ (CHEBI:15846) is conjugate acid of NAD(1−) (CHEBI:57540)

IUPAC Name
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] diphosphate}

Synonym	Source
NAD anion	ChEBI

UniProt Name	Source
NAD⁺	UniProt

Registry Numbers	Sources
Beilstein:3868403	Beilstein
Gmelin:684342	Gmelin