dGTP (CHEBI:16497)

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CHEBI:16497 - dGTP

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ChEBI Name	dGTP

ChEBI ID	CHEBI:16497

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

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

Secondary ChEBI IDs	CHEBI:10497, CHEBI:19247, CHEBI:14076

Supplier Information	ZINC000198210272

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

DGT - Ideal conformer

Mrv1927 07272110283D

starting HoverWatcher_5

Time for openFile(DGT - Ideal conformer

Mrv1927 07272110283D

47 49 0 0 0 0 999 V2000

-6.7220 1.7390 -0.7980 P 0 0 1 0 0 5 0 0 0 0 0 0

-7.3210 0.7030 -1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0

-6.5860 3.1950 -1.4710 O 0 0 0 0 0 0 0 0 0 0 0 0

-7.6290 1.8170 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0

-5.2710 1.2320 -0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.7640 0.0600 0.6620 P 0 0 1 0 0 5 0 0 0 0 0 0

-5.0220 0.4890 2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0

-5.5080 -1.1850 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.1900 -0.1890 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.1920 -1.4110 0.7510 P 0 0 1 0 0 5 0 0 0 0 0 0

-1.8750 -1.4480 2.3290 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.8280 -2.6850 0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.8210 -1.2120 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2280 -2.1830 -0.0790 C 0 0 1 0 0 0 0 0 0 0 0 0

1.3800 -1.6800 -0.9500 C 0 0 1 0 0 0 0 0 0 0 0 0

2.0300 -0.5500 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0

2.5030 -2.7440 -1.0380 C 0 0 1 0 0 0 0 0 0 0 0 0

2.2430 -3.6740 -2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0

3.7460 -1.8790 -1.3580 C 0 0 1 0 0 0 0 0 0 0 0 0

3.3480 -0.4600 -0.8980 C 0 0 2 0 0 0 0 0 0 0 0 0

4.2940 0.0200 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0

4.1450 -0.0700 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0

5.1760 0.4580 2.0590 N 0 0 0 0 0 0 0 0 0 0 0 0

6.0450 0.9160 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0

7.3010 1.5650 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0

7.8220 1.8240 2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0

7.9080 1.8910 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0

7.3170 1.5970 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0

7.9570 1.9390 -2.3360 N 0 0 0 0 0 0 0 0 0 0 0 0

6.1510 0.9940 -1.2380 N 0 0 0 0 0 0 0 0 0 0 0 0

5.4920 0.6360 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0

-6.7770 0.6020 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0

-7.4240 3.5630 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.5640 1.2990 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4570 -0.6440 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0

0.5850 -2.3440 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1510 -3.1220 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0210 -1.4180 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6240 -3.2620 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9180 -4.3600 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0

4.6130 -2.2340 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0

3.9510 -1.8880 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3380 0.2180 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0

3.2980 -0.5130 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0

8.8180 2.3850 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0

7.5490 1.7370 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0

8.7700 2.3360 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 3 1 0 0 0 0

2 32 1 0 0 0 0

3 33 1 0 0 0 0

4 1 2 0 0 0 0

5 1 1 0 0 0 0

6 5 1 6 0 0 0

6 7 1 0 0 0 0

6 9 1 0 0 0 0

7 34 1 0 0 0 0

8 6 2 0 0 0 0

10 9 1 1 0 0 0

10 11 1 0 0 0 0

11 35 1 0 0 0 0

12 10 2 0 0 0 0

13 10 1 0 0 0 0

13 14 1 0 0 0 0

14 36 1 0 0 0 0

14 37 1 0 0 0 0

15 14 1 0 0 0 0

15 38 1 6 0 0 0

16 15 1 0 0 0 0

17 15 1 0 0 0 0

17 18 1 0 0 0 0

17 39 1 1 0 0 0

18 40 1 0 0 0 0

19 17 1 0 0 0 0

19 20 1 0 0 0 0

19 41 1 0 0 0 0

19 42 1 0 0 0 0

20 16 1 0 0 0 0

20 43 1 6 0 0 0

21 20 1 0 0 0 0

21 31 1 0 0 0 0

22 21 1 0 0 0 0

22 44 1 0 0 0 0

23 22 2 0 0 0 0

23 24 1 0 0 0 0

24 25 1 0 0 0 0

24 31 2 0 0 0 0

25 27 1 0 0 0 0

26 25 2 0 0 0 0

27 28 1 0 0 0 0

28 30 2 0 0 0 0

28 29 1 0 0 0 0

29 45 1 0 0 0 0

29 46 1 0 0 0 0

31 30 1 0 0 0 0

27 47 1 0 0 0 0

M END): 19 ms

reading 47 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

47 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Wikipedia	License
Deoxyguanosine triphosphate (dGTP) is a nucleoside triphosphate, and a nucleotide precursor used in cells for DNA synthesis. The substance is used in the polymerase chain reaction technique, in sequencing, and in cloning. It is also the competitor of inhibition onset by acyclovir in the treatment of HSV virus.
Read full article at Wikipedia

Formula

C10H16N5O13P3

Net Charge

Average Mass

507.181

Monoisotopic Mass

506.99575

InChI

InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChIKey

HAAZLUGHYHWQIW-KVQBGUIXSA-N

SMILES

NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:txid10090)	From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702)	From MetaboLights See: MetaboLights Study
Solanum lycopersicum (NCBI:txid4081)	Found in leaf (BTO:0000713). From MetaboLights See: MetaboLights Study
Saccharomyces cerevisiae (NCBI:txid4932)	See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via nucleoside 5'-triphoshate ) Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	dGTP (CHEBI:16497) has role Arabidopsis thaliana metabolite (CHEBI:140602) dGTP (CHEBI:16497) has role Escherichia coli metabolite (CHEBI:76971) dGTP (CHEBI:16497) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) dGTP (CHEBI:16497) has role human metabolite (CHEBI:77746) dGTP (CHEBI:16497) has role mouse metabolite (CHEBI:75771) dGTP (CHEBI:16497) has role plant metabolite (CHEBI:76924) dGTP (CHEBI:16497) is a deoxyguanosine phosphate (CHEBI:23625) dGTP (CHEBI:16497) is a guanyl deoxyribonucleotide (CHEBI:63573) dGTP (CHEBI:16497) is a purine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:37042) dGTP (CHEBI:16497) is conjugate acid of dGTP(3−) (CHEBI:57794)

Incoming	dGTP(3−) (CHEBI:57794) is conjugate base of dGTP (CHEBI:16497)

IUPAC Name

2'-deoxyguanosine 5'-(tetrahydrogen triphosphate)

Synonyms	Sources
2'-deoxy-GTP	ChEBI
2'-deoxyguanosine 5'-triphosphate	KEGG COMPOUND
2'-deoxyguanosine triphosphate	ChEBI
deoxy-GTP	HMDB
deoxyguanosine 5'-triphosphate	KEGG COMPOUND
deoxyguanosine triphosphate	KEGG COMPOUND
dGTP	KEGG COMPOUND

Manual Xrefs	Databases
58613	ChemSpider
C00019346	KNApSAcK
C00286	KEGG COMPOUND
DB02181	DrugBank
Deoxyguanosine_triphosphate	Wikipedia
DGT	PDBeChem
ECMDB01440	ECMDB
FDB022623	FooDB
HMDB0001440	HMDB
YMDB00744	YMDB
View more database links

Registry Numbers	Types	Sources
2564-35-4	CAS Registry Number	ChemIDplus
73481	Reaxys Registry Number	Reaxys

Citations

Last Modified

27 July 2021

CHEBI:16497 - dGTP

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