dUTP (CHEBI:17625)

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CHEBI:17625 - dUTP

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ChEBI Name	dUTP

ChEBI ID	CHEBI:17625

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

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

Secondary ChEBI IDs	CHEBI:10533, CHEBI:42215, CHEBI:19264, CHEBI:14095

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

DUT - Ideal conformer

Mrv1927 07272112563D

starting HoverWatcher_5

Time for openFile(DUT - Ideal conformer

Mrv1927 07272112563D

43 44 0 0 0 0 999 V2000

-0.3170 0.5140 5.1660 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.9720 -0.6480 4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.0780 -0.9300 5.7080 N 0 0 0 0 0 0 0 0 0 0 0 0

-2.5540 -0.0420 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.8770 1.1870 6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.7670 1.4420 6.0650 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.5540 -1.4590 4.1910 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.5580 -0.2940 7.2460 O 0 0 0 0 0 0 0 0 0 0 0 0

0.8860 0.7910 4.3790 C 0 0 1 0 0 0 0 0 0 0 0 0

1.9690 -0.2740 4.6590 C 0 0 2 0 0 0 0 0 0 0 0 0

2.6450 -0.4920 3.2870 C 0 0 1 0 0 0 0 0 0 0 0 0

1.8910 0.4640 2.3370 C 0 0 2 0 0 0 0 0 0 0 0 0

0.6060 0.6690 2.9670 O 0 0 0 0 0 0 0 0 0 0 0 0

4.0300 -0.1470 3.3500 O 0 0 0 0 0 0 0 0 0 0 0 0

1.7130 -0.1730 0.9580 C 0 0 1 0 0 0 0 0 0 0 0 0

0.9510 0.7010 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0

0.8020 -0.0280 -1.3030 P 0 0 1 0 0 5 0 0 0 0 0 0

2.1450 -0.2650 -1.8780 O 0 0 0 0 0 0 0 0 0 0 0 0

0.0460 -1.4360 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.0490 0.9060 -2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1580 0.1180 -3.6980 P 0 0 2 0 0 5 0 0 0 0 0 0

-0.8390 -1.1770 -3.4830 O 0 0 0 0 0 0 0 0 0 0 0 0

1.3180 -0.1410 -4.2830 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.0030 1.0010 -4.7460 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.0710 0.1570 -6.1160 P 0 0 1 0 0 5 0 0 0 0 0 0

-1.7380 -1.1390 -5.8640 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.9070 0.9850 -7.2150 O 0 0 0 0 0 0 0 0 0 0 0 0

0.4200 -0.1030 -6.6610 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.5360 -1.7750 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2430 1.9100 7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.2370 2.3740 6.1940 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2660 1.7870 4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0

1.5130 -1.1990 5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6920 0.0970 5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0

2.5250 -1.5260 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0

2.4270 1.4100 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0

4.4420 -0.7560 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6900 -0.3450 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1890 -1.1230 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.8220 -1.2370 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0

1.7260 0.7260 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.9240 0.4460 -8.0180 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8180 0.7640 -6.8120 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 6 1 0 0 0 0

1 9 1 0 0 0 0

2 3 1 0 0 0 0

2 7 2 0 0 0 0

3 4 1 0 0 0 0

3 29 1 0 0 0 0

4 5 1 0 0 0 0

4 8 2 0 0 0 0

5 6 2 0 0 0 0

5 30 1 0 0 0 0

6 31 1 0 0 0 0

9 10 1 0 0 0 0

9 13 1 0 0 0 0

9 32 1 6 0 0 0

10 11 1 0 0 0 0

10 33 1 0 0 0 0

10 34 1 0 0 0 0

11 12 1 0 0 0 0

11 14 1 0 0 0 0

11 35 1 6 0 0 0

12 13 1 0 0 0 0

12 15 1 0 0 0 0

12 36 1 6 0 0 0

14 37 1 0 0 0 0

15 16 1 0 0 0 0

15 38 1 0 0 0 0

15 39 1 0 0 0 0

17 16 1 1 0 0 0

17 18 2 0 0 0 0

17 19 1 0 0 0 0

17 20 1 0 0 0 0

19 40 1 0 0 0 0

21 20 1 1 0 0 0

21 22 2 0 0 0 0

21 23 1 0 0 0 0

21 24 1 0 0 0 0

23 41 1 0 0 0 0

24 25 1 0 0 0 0

25 26 2 0 0 0 0

25 27 1 0 0 0 0

25 28 1 0 0 0 0

27 42 1 0 0 0 0

28 43 1 0 0 0 0

M END): 18 ms

reading 43 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

43 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C9H15N2O14P3

Net Charge

Average Mass

468.140

Monoisotopic Mass

467.97361

InChI

InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey

AHCYMLUZIRLXAA-SHYZEUOFSA-N

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:txid10090)	From MetaboLights See: MetaboLights Study
Mus musculus (NCBI:txid10090)	From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702)	From MetaboLights See: MetaboLights Study
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI
Homo sapiens (NCBI:txid9606)	Found in prostate gland (UBERON:0002367). See: PubMed

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). 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.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	dUTP (CHEBI:17625) has role Arabidopsis thaliana metabolite (CHEBI:140602) dUTP (CHEBI:17625) has role Escherichia coli metabolite (CHEBI:76971) dUTP (CHEBI:17625) has role human metabolite (CHEBI:77746) dUTP (CHEBI:17625) has role mouse metabolite (CHEBI:75771) dUTP (CHEBI:17625) is a deoxyuridine phosphate (CHEBI:23641) dUTP (CHEBI:17625) is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:37043) dUTP (CHEBI:17625) is conjugate acid of dUTP(3−) (CHEBI:58212)

Incoming	ethyl-dUTP (CHEBI:62903) has functional parent dUTP (CHEBI:17625) dUTP(3−) (CHEBI:58212) is conjugate base of dUTP (CHEBI:17625)

IUPAC Name

2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

Synonyms	Sources
2'-deoxy-UTP	ChEBI
2'-deoxyuridine 5'-triphosphate	KEGG COMPOUND
2'-deoxyuridine triphosphate	ChEBI
2'-deoxyuridine-5'-triphosphorate	HMDB
deoxy-UTP	HMDB
deoxyuridine triphosphate	ChEBI
deoxyuridine-5'-triphosphate	DrugBank
dUTP	KEGG COMPOUND

Manual Xrefs	Databases
58580	ChemSpider
C00019636	KNApSAcK
C00460	KEGG COMPOUND
DB02333	DrugBank
DUT	PDBeChem
FDB030842	FooDB
HMDB0001191	HMDB
US6017702	Patent
View more database links

Registry Number	Type	Source
102814-08-4	CAS Registry Number	ChemIDplus

Citations

Last Modified

27 July 2021

CHEBI:17625 - dUTP

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