dATP (CHEBI:16284)

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CHEBI:16284 - dATP

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ChEBI Name	dATP

ChEBI ID	CHEBI:16284

Definition	A purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase.

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

Secondary ChEBI IDs	CHEBI:19238, CHEBI:42290, CHEBI:10491, CHEBI:14069

Supplier Information	ChemicalBook:CB0154385, ChemicalBook:CB14797718, eMolecules:1883568

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

DTP - Ideal conformer

Mrv1927 07272109333D

starting HoverWatcher_5

Time for openFile(DTP - Ideal conformer

Mrv1927 07272109333D

46 48 0 0 0 0 999 V2000

1.1730 -0.2530 -6.6990 P 0 0 2 0 0 5 0 0 0 0 0 0

1.9470 0.9790 -6.4310 O 0 0 0 0 0 0 0 0 0 0 0 0

1.9490 -1.1480 -7.7890 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.2810 0.1390 -7.2650 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2290 -0.1410 -4.2950 P 0 0 2 0 0 5 0 0 0 0 0 0

-1.0940 0.2170 -4.8530 O 0 0 0 0 0 0 0 0 0 0 0 0

1.0860 1.1970 -4.0430 O 0 0 0 0 0 0 0 0 0 0 0 0

1.0090 -1.0920 -5.3340 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.7520 0.0820 -1.9140 P 0 0 1 0 0 5 0 0 0 0 0 0

0.0500 1.3090 -1.7200 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.1750 0.4680 -2.5610 O 0 0 0 0 0 0 0 0 0 0 0 0

0.0290 -0.9210 -2.9000 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.9870 -0.6360 -0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.6820 0.2980 0.3330 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.9370 -0.3250 1.7070 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.6920 -0.5550 2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.6910 0.6690 2.6260 C 0 0 1 0 0 0 0 0 0 0 0 0

-4.1030 0.5770 2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.2980 0.1680 4.0370 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.0090 -0.6430 3.8040 C 0 0 2 0 0 0 0 0 0 0 0 0

0.0840 -0.0780 4.5980 N 0 0 0 0 0 0 0 0 0 0 0 0

0.9490 0.8980 4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0

1.7940 1.1570 5.1560 N 0 0 0 0 0 0 0 0 0 0 0 0

1.5240 0.3700 6.2250 C 0 0 0 0 0 0 0 0 0 0 0 0

2.0910 0.2060 7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0

3.1760 0.9680 7.8950 N 0 0 0 0 0 0 0 0 0 0 0 0

1.5580 -0.6940 8.3190 N 0 0 0 0 0 0 0 0 0 0 0 0

0.5230 -1.4260 7.9500 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.0360 -1.3100 6.7640 N 0 0 0 0 0 0 0 0 0 0 0 0

0.4270 -0.4360 5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0

2.0260 -0.6100 -8.5880 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7520 -0.6900 -7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9390 0.9190 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6660 -0.3570 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6340 0.5570 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0780 1.1990 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.4970 -1.2550 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3430 1.6890 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.5160 1.1490 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.0810 -0.4690 4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1040 1.0100 4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1700 -1.6840 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9340 1.3840 3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0

3.5570 0.8490 8.7800 H 0 0 0 0 0 0 0 0 0 0 0 0

3.5590 1.6200 7.2870 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1210 -2.1460 8.6470 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 2 0 0 0 0

1 3 1 0 0 0 0

1 4 1 0 0 0 0

1 8 1 0 0 0 0

3 31 1 0 0 0 0

4 32 1 0 0 0 0

5 6 2 0 0 0 0

5 7 1 1 0 0 0

5 8 1 0 0 0 0

5 12 1 0 0 0 0

7 33 1 0 0 0 0

9 10 2 0 0 0 0

9 11 1 6 0 0 0

9 12 1 0 0 0 0

9 13 1 0 0 0 0

11 34 1 0 0 0 0

13 14 1 0 0 0 0

14 15 1 0 0 0 0

14 35 1 0 0 0 0

14 36 1 0 0 0 0

15 16 1 0 0 0 0

15 17 1 0 0 0 0

15 37 1 6 0 0 0

16 20 1 0 0 0 0

17 18 1 0 0 0 0

17 19 1 0 0 0 0

17 38 1 6 0 0 0

18 39 1 0 0 0 0

19 20 1 0 0 0 0

19 40 1 0 0 0 0

19 41 1 0 0 0 0

20 21 1 0 0 0 0

20 42 1 1 0 0 0

21 22 1 0 0 0 0

21 30 1 0 0 0 0

22 23 2 0 0 0 0

22 43 1 0 0 0 0

23 24 1 0 0 0 0

24 25 1 0 0 0 0

24 30 2 0 0 0 0

25 26 1 0 0 0 0

25 27 2 0 0 0 0

26 44 1 0 0 0 0

26 45 1 0 0 0 0

27 28 1 0 0 0 0

28 29 2 0 0 0 0

28 46 1 0 0 0 0

29 30 1 0 0 0 0

M END): 19 ms

reading 46 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

46 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Wikipedia	License
Deoxyadenosine triphosphate (dATP) is a nucleotide used in cells for DNA synthesis (or replication), as a substrate of DNA polymerase. Deoxyadenosine triphosphate is produced from DNA by the action of nuclease P1, adenylate kinase, and pyruvate kinase.
Read full article at Wikipedia

Formula

C10H16N5O12P3

Net Charge

Average Mass

491.182

Monoisotopic Mass

491.00083

InChI

InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChIKey

SUYVUBYJARFZHO-RRKCRQDMSA-N

SMILES

NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:txid10090)	From MetaboLights See: MetaboLights Study
Escherichia coli (NCBI:txid562)	See: PubMed
Escherichia coli (NCBI:txid562)	Found in whole organism (UBERON:0000468). From MetaboLights See: MetaboLights Study

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via nucleoside 5'-triphoshate )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	dATP (CHEBI:16284) has role Escherichia coli metabolite (CHEBI:76971) dATP (CHEBI:16284) has role mouse metabolite (CHEBI:75771) dATP (CHEBI:16284) is a 2'-deoxyadenosine 5'-phosphate (CHEBI:19237) dATP (CHEBI:16284) is a purine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:37042) dATP (CHEBI:16284) is conjugate acid of dATP(3−) (CHEBI:495505)

Incoming	dATP(3−) (CHEBI:495505) is conjugate base of dATP (CHEBI:16284)

IUPAC Name

2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)

Synonyms	Sources
2'-dATP	ChemIDplus
2'-deoxy-ATP	ChEBI
2'-Deoxyadenosine 5'-triphosphate	KEGG COMPOUND
2'-deoxyadenosine 5'-triphosphate	ChEBI
2'-deoxyadenosine triphosphate	ChemIDplus
dATP	KEGG COMPOUND
Deoxyadenosine 5'-triphosphate	KEGG COMPOUND
Deoxyadenosine triphosphate	KEGG COMPOUND

Manual Xrefs	Databases
15194	ChemSpider
C00131	KEGG COMPOUND
DB03222	DrugBank
Deoxyadenosine_triphosphate	Wikipedia
DTP	PDBeChem
FDB022674	FooDB
HMDB0001532	HMDB
View more database links

Registry Number	Type	Source
1927-31-7	CAS Registry Number	ChemIDplus

Citations

Petrov SA, Danilova AO, Karpov LM (2014)
[The effect of a water-soluble vitamins on the activity of some enzymes in diabetes].
Biomeditsinskaia khimiia 60, 623-630 [PubMed:25552500]
[show Abstract]

Last Modified

27 July 2021

CHEBI:16284 - dATP

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