dTTP (CHEBI:18077)

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CHEBI:18077 - dTTP

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ChEBI Name	dTTP

ChEBI ID	CHEBI:18077

Definition	A thymidine phosphate having a triphosphate group at the 5'-position.

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

Secondary ChEBI IDs	CHEBI:46175, CHEBI:14093, CHEBI:10530, CHEBI:27000

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

TTP - Ideal conformer

Mrv1927 07272110573D

starting HoverWatcher_5

Time for openFile(TTP - Ideal conformer

Mrv1927 07272110573D

46 47 0 0 0 0 999 V2000

-0.7690 0.0020 1.5360 P 0 0 1 0 0 5 0 0 0 0 0 0

0.0460 -1.2090 1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.1940 -0.4220 2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.0040 0.9700 2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0

0.1880 0.1350 3.9340 P 0 0 1 0 0 5 0 0 0 0 0 0

-1.1370 -0.2570 4.4630 O 0 0 0 0 0 0 0 0 0 0 0 0

1.0590 -1.1840 3.6360 O 0 0 0 0 0 0 0 0 0 0 0 0

0.9500 1.0480 5.0190 O 0 0 0 0 0 0 0 0 0 0 0 0

1.1080 0.1550 6.3490 P 0 0 1 0 0 5 0 0 0 0 0 0

1.8950 -1.0580 6.0380 O 0 0 0 0 0 0 0 0 0 0 0 0

1.8670 1.0110 7.4830 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.3480 -0.2710 6.8850 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.9960 0.7770 0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.6750 -0.1290 -0.7270 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.9230 0.5480 -2.0760 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.6740 0.8180 -2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.6600 -0.4130 -3.0430 C 0 0 1 0 0 0 0 0 0 0 0 0

-4.0740 -0.3410 -2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.2580 0.1490 -4.4280 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.9780 0.9600 -4.1490 C 0 0 2 0 0 0 0 0 0 0 0 0

0.1280 0.4380 -4.9550 N 0 0 0 0 0 0 0 0 0 0 0 0

0.5130 -0.8420 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.0620 -1.5530 -4.0080 O 0 0 0 0 0 0 0 0 0 0 0 0

1.5260 -1.3470 -5.5360 N 0 0 0 0 0 0 0 0 0 0 0 0

2.1710 -0.5730 -6.4320 C 0 0 0 0 0 0 0 0 0 0 0 0

3.0880 -1.0300 -7.0910 O 0 0 0 0 0 0 0 0 0 0 0 0

1.7790 0.7770 -6.5930 C 0 0 0 0 0 0 0 0 0 0 0 0

2.4870 1.6640 -7.5840 C 0 0 0 0 0 0 0 0 0 0 0 0

0.7600 1.2580 -5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.6930 0.3930 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9130 -0.8840 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9400 0.4410 8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.8270 0.5460 7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6290 -0.4140 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0630 -1.0190 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.4920 1.4680 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3040 -1.4360 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.4760 -0.8880 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.0420 0.7960 -4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.0500 -0.6630 -5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1460 2.0110 -4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0

1.7900 -2.2730 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0

3.2740 1.0980 -8.0820 H 0 0 0 0 0 0 0 0 0 0 0 0

1.7730 2.0220 -8.3260 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9260 2.5140 -7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4450 2.2850 -5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 2 0 0 0 0

1 3 1 1 0 0 0

1 4 1 0 0 0 0

1 13 1 0 0 0 0

3 30 1 0 0 0 0

5 4 1 6 0 0 0

5 6 2 0 0 0 0

5 7 1 0 0 0 0

5 8 1 0 0 0 0

7 31 1 0 0 0 0

8 9 1 0 0 0 0

9 10 2 0 0 0 0

9 11 1 0 0 0 0

9 12 1 0 0 0 0

11 32 1 0 0 0 0

12 33 1 0 0 0 0

13 14 1 0 0 0 0

14 15 1 0 0 0 0

14 34 1 0 0 0 0

14 35 1 0 0 0 0

15 16 1 0 0 0 0

15 17 1 0 0 0 0

15 36 1 1 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 37 1 6 0 0 0

18 38 1 0 0 0 0

19 20 1 0 0 0 0

19 39 1 0 0 0 0

19 40 1 0 0 0 0

20 21 1 0 0 0 0

20 41 1 6 0 0 0

21 22 1 0 0 0 0

21 29 1 0 0 0 0

22 23 2 0 0 0 0

22 24 1 0 0 0 0

24 25 1 0 0 0 0

24 42 1 0 0 0 0

25 26 2 0 0 0 0

25 27 1 0 0 0 0

27 28 1 0 0 0 0

27 29 2 0 0 0 0

28 43 1 0 0 0 0

28 44 1 0 0 0 0

28 45 1 0 0 0 0

29 46 1 0 0 0 0

M END): 18 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
In chemistry, cyanide (from Greek kyanos 'dark blue') is an inorganic chemical compound that contains a C≡N functional group. This group, known as the cyano group, consists of a carbon atom triple-bonded to a nitrogen atom. Ionic cyanides contain the cyanide anion −C≡N. This anion is extremely poisonous. Soluble cyanide salts such as sodium cyanide (NaCN), potassium cyanide (KCN) and tetraethylammonium cyanide ([(CH3CH2)4N]CN) are highly toxic. Covalent cyanides contain the −C≡N group, and are usually called nitriles if the group is linked by a single covalent bond to carbon atom. For example, in acetonitrile CH3−C≡N, the cyanide group is bonded to methyl −CH3. In tetracyanomethane C(−C≡N)4, four cyano groups are bonded to carbon. Although nitriles generally do not release cyanide ions, the cyanohydrins do and are thus toxic. The cyano group may be covalently bonded to atoms different than carbon, e.g., in cyanogen azide N3−C≡N, phosphorus tricyanide P(−C≡N)3 and trimethylsilyl cyanide (CH3)3Si−C≡N. Hydrogen cyanide, or H−C≡N, is a highly volatile toxic liquid that is produced on a large scale industrially. It is obtained by acidification of cyanide salts.
Read full article at Wikipedia

Formula

C10H17N2O14P3

Net Charge

Average Mass

482.167

Monoisotopic Mass

481.98926

InChI

InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

InChIKey

NHVNXKFIZYSCEB-XLPZGREQSA-N

SMILES

CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
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	dTTP (CHEBI:18077) has role Escherichia coli metabolite (CHEBI:76971) dTTP (CHEBI:18077) has role mouse metabolite (CHEBI:75771) dTTP (CHEBI:18077) is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:37043) dTTP (CHEBI:18077) is a thymidine phosphate (CHEBI:27001) dTTP (CHEBI:18077) is conjugate acid of dTTP(3−) (CHEBI:58370)

Incoming	ethyl-dTTP (CHEBI:62900) has functional parent dTTP (CHEBI:18077) dTTP(3−) (CHEBI:58370) is conjugate base of dTTP (CHEBI:18077)

IUPAC Name

thymidine 5'-(tetrahydrogen triphosphate)

Synonyms	Sources
2'-deoxythymidine 5'-triphosphate	ChEBI
2'-deoxythymidine triphosphate	ChemIDplus
5'-TTP	ChemIDplus
deoxy-TTP	ChemIDplus
deoxythymidine 5'-triphosphate	KEGG COMPOUND
deoxythymidine triphosphate	KEGG COMPOUND
dThd5'PPP	CBN
dTTP	KEGG COMPOUND
pppdT	CBN
thymidine 5'-triphosphate	ChemIDplus
THYMIDINE-5'-TRIPHOSPHATE	PDBeChem
TTP	KEGG COMPOUND

Manual Xrefs	Databases
58493	ChemSpider
C00019695	KNApSAcK
C00459	KEGG COMPOUND
DB02452	DrugBank
FDB030841	FooDB
HMDB0001342	HMDB
Thymidine_triphosphate	Wikipedia
TTP	PDBeChem
View more database links

Registry Numbers	Types	Sources
365-08-2	CAS Registry Number	ChemIDplus
71453	Beilstein Registry Number	Beilstein

Citations	Types	Sources
11952643	PubMed citation	Europe PMC
163227	PubMed citation	Europe PMC
17062140	PubMed citation	Europe PMC
18164314	PubMed citation	Europe PMC
2232707	PubMed citation	Europe PMC
26252214	PubMed citation	Europe PMC
2628074	PubMed citation	Europe PMC
26408413	PubMed citation	Europe PMC
29083013	PubMed citation	Europe PMC
30305373	PubMed citation	Europe PMC
31377845	PubMed citation	Europe PMC
33716755	PubMed citation	Europe PMC
34102282	PubMed citation	Europe PMC
34110794	PubMed citation	Europe PMC
4556566	PubMed citation	Europe PMC
7361458	PubMed citation	Europe PMC
8294419	PubMed citation	Europe PMC
89451	PubMed citation	Europe PMC
IND43614414	Agricola citation	Europe PMC

Last Modified

27 July 2021

CHEBI:18077 - dTTP

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