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	eMolecules:538461, ZINC000012494625

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): 22 ms

reading 41 atoms

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41 atoms created

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

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Molfile expand

Wikipedia	License
The organic compound citrulline is an α-amino acid. Its name is derived from citrullus, the Latin word for watermelon. Although named and described by gastroenterologists since the late 19th century, it was first isolated from watermelon in 1914 by Japanese researchers Yatarō Koga (古賀彌太郎) and Ryō Ōtake (大嶽了) and further codified by Mitsunori Wada of Tokyo Imperial University in 1930. It has the formula H2NC(O)NH(CH2)3CH(NH2)CO2H. It is a key intermediate in the urea cycle, the pathway by which mammals excrete ammonia by converting it into urea. Citrulline is also produced as a byproduct of the enzymatic production of nitric oxide from the amino acid arginine, catalyzed by nitric oxide synthase.
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	Types	Sources
20065942	PubMed citation	Europe PMC
23394555	PubMed citation	Europe PMC

Last Modified

27 January 2016

CHEBI:18075 - dTDP

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