dTDP (CHEBI:18075)

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CHEBI:18075 - dTDP

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ChEBI Name	dTDP

ChEBI ID	CHEBI:18075

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

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

Secondary ChEBI IDs	CHEBI:46061, CHEBI:10500, CHEBI:14077, CHEBI:26998

Supplier Information	ZINC000008215882

Download	Molfile XML SDF

more structures >>

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Marvin 10290717443D

41 42 0 0 0 0 999 V2000

4.3088 1.2151 -0.0572 P 0 0 1 0 0 0 0 0 0 0 0 0

3.4482 2.3442 -0.4726 O 0 0 0 0 0 0 0 0 0 0 0 0

5.3185 0.8410 -1.2544 O 0 0 0 0 0 0 0 0 0 0 0 0

5.1558 1.6348 1.2453 O 0 0 0 0 0 0 0 0 0 0 0 0

6.0465 2.9095 0.8304 P 0 0 1 0 0 0 0 0 0 0 0 0

5.1592 4.0137 0.4024 O 0 0 0 0 0 0 0 0 0 0 0 0

6.9240 3.3859 2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0

7.0265 2.5076 -0.3806 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.6131 -1.5894 0.3911 N 0 0 0 0 0 0 0 0 0 0 0 0

-1.9801 -0.5144 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.2326 -0.0792 -1.1816 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.1639 0.0893 -0.1122 N 0 0 0 0 0 0 0 0 0 0 0 0

-4.0061 -0.3827 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0

-5.0775 0.1633 1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.6295 -1.5110 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.5505 -2.0556 2.6557 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.4362 -2.0973 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.4127 0.8645 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1333 -2.9618 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3901 -0.0608 0.2879 O 0 0 0 0 0 0 0 0 0 0 0 0

2.6685 -0.3845 -0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0

1.7713 -1.5947 -0.6415 C 0 0 1 0 0 0 0 0 0 0 0 0

0.7406 -1.2712 0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0

0.9740 -1.9690 -1.9157 C 0 0 1 0 0 0 0 0 0 0 0 0

1.7361 -2.8358 -2.7587 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.2527 -2.7077 -1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.3183 -2.2260 0.1339 C 0 0 2 0 0 0 0 0 0 0 0 0

5.8594 0.1029 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0

7.4413 4.1492 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0

7.5869 1.7879 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3707 -0.6187 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0

2.0538 0.4662 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3628 -2.4423 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6655 -1.0749 -2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1537 -3.1035 -3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1022 -3.7874 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1597 -2.4293 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1799 -3.0698 0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.4569 -1.4520 2.6955 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.8116 -3.0865 2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.0492 -2.0232 3.6239 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 20 1 0 0 0 0

3 28 1 0 0 0 0

4 5 1 0 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 29 1 0 0 0 0

8 30 1 0 0 0 0

9 10 1 0 0 0 0

9 17 1 0 0 0 0

10 11 2 0 0 0 0

10 12 1 0 0 0 0

12 13 1 0 0 0 0

12 18 1 0 0 0 0

13 14 2 0 0 0 0

13 15 1 0 0 0 0

15 16 1 0 0 0 0

15 17 2 0 0 0 0

16 39 1 0 0 0 0

16 40 1 0 0 0 0

16 41 1 0 0 0 0

17 19 1 0 0 0 0

20 21 1 0 0 0 0

21 22 1 0 0 0 0

21 31 1 0 0 0 0

21 32 1 0 0 0 0

22 23 1 0 0 0 0

22 24 1 0 0 0 0

22 33 1 0 0 0 0

23 27 1 0 0 0 0

24 25 1 0 0 0 0

24 26 1 0 0 0 0

24 34 1 0 0 0 0

25 35 1 0 0 0 0

26 27 1 0 0 0 0

26 36 1 0 0 0 0

26 37 1 0 0 0 0

27 9 1 0 0 0 0

27 38 1 0 0 0 0

M END): 16 ms

reading 41 atoms

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41 atoms created

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Wikipedia	License
Thymidine diphosphate (TDP) or deoxythymidine diphosphate (dTDP) (also thymidine pyrophosphate, dTPP) is a nucleotide diphosphate. It is an ester of pyrophosphoric acid with the nucleoside thymidine. dTDP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase thymine. Unlike the other deoxyribonucleotides, thymidine diphosphate does not always contain the "deoxy" prefix in its name.
Read full article at Wikipedia

Formula

C10H16N2O11P2

Net Charge

Average Mass

402.18844

Monoisotopic Mass

402.02293

InChI

InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

InChIKey

UJLXYODCHAELLY-XLPZGREQSA-N

SMILES

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: PubMed

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'-diphosphate )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	dTDP (CHEBI:18075) has role Escherichia coli metabolite (CHEBI:76971) dTDP (CHEBI:18075) has role mouse metabolite (CHEBI:75771) dTDP (CHEBI:18075) is a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate (CHEBI:37037) dTDP (CHEBI:18075) is a thymidine phosphate (CHEBI:27001) dTDP (CHEBI:18075) is conjugate acid of dTDP(3−) (CHEBI:58369)

Incoming	dTDP-sugar (CHEBI:23557) has functional parent dTDP (CHEBI:18075) ethyl-dTDP (CHEBI:62904) has functional parent dTDP (CHEBI:18075) dTDP(3−) (CHEBI:58369) is conjugate base of dTDP (CHEBI:18075)

IUPAC Name

thymidine 5'-(trihydrogen diphosphate)

Synonyms	Sources
2'-deoxyribosylthymine 5'-(trihydrogen diphosphate)	ChEBI
deoxy-TDP	ChemIDplus
Deoxythymidine 5'-diphosphate	KEGG COMPOUND
dTDP	KEGG COMPOUND
thymidine 5'-diphosphate	ChemIDplus
thymidine 5'-pyrophosphate	ChemIDplus
THYMIDINE-5'- DIPHOSPHATE	PDBeChem

Manual Xrefs	Databases
C00019696	KNApSAcK
C00363	KEGG COMPOUND
DB03103	DrugBank
HMDB0001274	HMDB
TDP	MetaCyc
Thymidine_diphosphate	Wikipedia
TYD	PDBeChem
View more database links

Registry Numbers	Types	Sources
491-97-4	CAS Registry Number	ChemIDplus
64132	Beilstein Registry Number	Beilstein

Citations

Cui Q, Shin WS, Luo Y, Tian J, Cui H, Yin D (2013)
Thymidylate kinase: an old topic brings new perspectives.
Current medicinal chemistry 20, 1286-1305 [PubMed:23394555]
[show Abstract]

Kohler JJ, Hosseini SH, Cucoranu I, Zhelyabovska O, Green E, Ivey K, Abuin A, Fields E, Hoying A, Russ R, Santoianni R, Raper CM, Yang Q, Lavie A, Lewis W (2010)
Transgenic cardiac-targeted overexpression of human thymidylate kinase.
Laboratory investigation; a journal of technical methods and pathology 90, 383-390 [PubMed:20065942]
[show Abstract]

Last Modified

27 January 2016

CHEBI:18075 - dTDP

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