NAD zwitterion (CHEBI:44215)

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CHEBI:44215 - NAD zwitterion

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ChEBI Name	NAD zwitterion

ChEBI ID	CHEBI:44215

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44214, CHEBI:44281, CHEBI:13393

Supplier Information	eMolecules:5851218, Selleckchem:nad

Download	Molfile XML SDF

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71 75 0 0 1 0 999 V2000

4.0477 5.1396 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0

2.7019 5.1434 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0

4.9421 4.0180 -0.0516 C 0 0 2 0 0 0 0 0 0 0 0 0

4.4147 6.4412 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0

2.2865 6.4758 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0

1.7884 4.1377 0.0885 N 0 0 0 0 0 0 0 0 0 0 0 0

4.2990 2.7367 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0

5.9043 3.9272 1.1475 C 0 0 1 0 0 0 0 0 0 0 0 0

3.3611 7.2737 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0

0.9090 6.7556 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0

0.4579 4.4177 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0

5.2928 1.7433 0.2918 C 0 0 1 0 0 0 0 0 0 0 0 0

6.4127 2.4759 1.0756 C 0 0 1 0 0 0 0 0 0 0 0 0

6.9491 4.8958 1.1205 O 0 0 0 0 0 0 0 0 0 0 0 0

0.0385 5.7117 0.0758 N 0 0 0 0 0 0 0 0 0 0 0 0

0.4571 7.9790 -0.0675 N 0 0 0 0 0 0 0 0 0 0 0 0

4.6956 0.5590 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0

7.6657 2.3423 0.4072 O 0 0 0 0 0 0 0 0 0 0 0 0

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-4.9756 -5.4208 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0

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-7.4402 -4.2613 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0

-7.1014 -5.4661 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0

-5.5600 -7.3156 1.4732 C 0 0 0 0 0 0 0 0 0 0 0 0

-6.3377 -7.8783 2.2335 O 0 0 0 0 0 0 0 0 0 0 0 0

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1.5987 -1.1659 0.1373 O 0 0 0 0 0 0 0 0 0 0 0 0

2.3302 -0.7508 2.3533 O 0 0 0 0 0 0 0 0 0 0 0 0

1.1364 0.7556 -1.2027 O 0 0 0 0 0 0 0 0 0 0 0 0

0.5953 -0.1901 -0.2599 P 0 0 1 0 0 0 0 0 0 0 0 0

0.0188 0.5327 0.8515 O 0 5 0 0 0 0 0 0 0 0 0 0

2.7512 -1.0170 0.9991 P 0 0 2 0 0 0 0 0 0 0 0 0

3.4514 -2.2763 1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0

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5.6608 1.3716 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0

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2 5 4 0 0 0 0

2 6 4 0 0 0 0

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3 8 1 0 0 0 0

4 9 4 0 0 0 0

5 10 4 0 0 0 0

6 11 4 0 0 0 0

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22 23 1 0 0 0 0

22 24 1 0 0 0 0

23 25 1 0 0 0 0

24 26 1 0 0 0 0

24 27 1 0 0 0 0

25 28 1 0 0 0 0

26 29 1 0 0 0 0

28 30 4 0 0 0 0

28 31 4 0 0 0 0

30 32 4 0 0 0 0

31 33 4 0 0 0 0

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35 36 2 0 0 0 0

35 37 1 0 0 0 0

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25 26 1 0 0 0 0

33 34 4 0 0 0 0

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43 38 1 0 0 0 0

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41 42 1 0 0 0 0

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4 46 1 0 0 0 0

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12 49 1 0 0 0 0

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14 51 1 0 0 0 0

16 52 1 0 0 0 0

16 53 1 0 0 0 0

17 54 1 0 0 0 0

17 55 1 0 0 0 0

18 56 1 0 0 0 0

21 57 1 0 0 0 0

21 58 1 0 0 0 0

22 59 1 0 0 0 0

24 60 1 0 0 0 0

25 61 1 0 0 0 0

26 62 1 0 0 0 0

27 63 1 0 0 0 0

29 64 1 0 0 0 0

30 65 1 0 0 0 0

31 66 1 0 0 0 0

33 67 1 0 0 0 0

34 68 1 0 0 0 0

37 69 1 0 0 0 0

37 70 1 0 0 0 0

44 71 1 0 0 0 0

M CHG 2 28 1 42 -1

M END): 20 ms

reading 71 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

71 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C21H27N7O14P2

Net Charge

Average Mass

663.42538

Monoisotopic Mass

663.10912

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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

BAWFJGJZGIEFAR-NNYOXOHSSA-N

SMILES

NC(=O)c1ccc[n+](c1)[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

Roles Classification
Biological Role(s):	fundamental metabolite Any metabolite produced by all living cells. (via NAD ) coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. (via NAD(P) )

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	NAD zwitterion (CHEBI:44215) has functional parent deamido-NAD zwitterion (CHEBI:14105) NAD zwitterion (CHEBI:44215) has role geroprotector (CHEBI:176497) NAD zwitterion (CHEBI:44215) is a NAD (CHEBI:13389) NAD zwitterion (CHEBI:44215) is conjugate base of NAD⁺ (CHEBI:15846)

Incoming	NAD⁺ (CHEBI:15846) is conjugate acid of NAD zwitterion (CHEBI:44215)

IUPAC Name

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

Synonyms	Sources
codehydrogenase I	ChemIDplus
coenzyme I	ChemIDplus
cozymase I	ChemIDplus
diphosphopyridine nucleotide	ChemIDplus
DPN	ChemIDplus
nadide	ChemIDplus
NICOTINAMIDE-ADENINE-DINUCLEOTIDE	PDBeChem

Manual Xrefs	Databases
4140	DrugCentral
NAD	PDBeChem
View more database links

Registry Numbers	Types	Sources
3584133	Beilstein Registry Number	ChemIDplus
53-84-9	CAS Registry Number	ChemIDplus
684343	Gmelin Registry Number	Gmelin

Citation

Hashimoto T, Horikawa M, Nomura T, Sakamoto K (2010)
Nicotinamide adenine dinucleotide extends the lifespan of Caenorhabditis elegans mediated by sir-2.1 and daf-16.
Biogerontology 11, 31-43 [PubMed:19370397]
[show Abstract]

Last Modified

26 October 2021

CHEBI:44215 - NAD zwitterion

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