CTP (CHEBI:17677)

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CHEBI:17677 - CTP

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ChEBI Name	CTP

ChEBI ID	CHEBI:17677

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

Secondary ChEBI IDs	CHEBI:41675, CHEBI:3285, CHEBI:13286, CHEBI:23522

Supplier Information	ZINC000001532852

Download	Molfile XML SDF

more structures >>

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45 46 0 0 1 0 999 V2000

1.1084 -2.1044 -0.9021 C 0 0 2 0 0 0 0 0 0 0 0 0

2.4458 -1.6360 -1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0

0.1146 -1.1492 -0.4838 O 0 0 0 0 0 0 0 0 0 0 0 0

0.9189 -3.1784 0.1965 C 0 0 1 0 0 0 0 0 0 0 0 0

2.8306 -0.3601 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0

3.3884 -2.5087 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.0687 -1.8337 -0.0455 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.5980 -3.2226 0.4441 C 0 0 1 0 0 0 0 0 0 0 0 0

1.4132 -4.4777 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0

4.0646 0.0092 -1.1686 N 0 0 0 0 0 0 0 0 0 0 0 0

2.1259 0.5568 -0.5006 O 0 0 0 0 0 0 0 0 0 0 0 0

4.6632 -2.1423 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.2920 -4.2588 -0.2479 O 0 0 0 0 0 0 0 0 0 0 0 0

4.9713 -0.8200 -1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0

6.1489 -0.3825 -1.8317 N 0 0 0 0 0 0 0 0 0 0 0 0

-3.2451 6.6168 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.1805 4.5149 -0.0863 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.8350 2.3967 0.7237 O 0 0 0 0 0 0 0 0 0 0 0 0

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-0.6321 3.2904 1.2224 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.1362 2.5618 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.2381 1.3281 2.7568 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.2349 0.7760 1.7151 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.9360 5.4393 0.7522 P 0 0 1 0 0 0 0 0 0 0 0 0

-1.6991 3.1842 0.2563 P 0 0 2 0 0 0 0 0 0 0 0 0

-2.8658 1.1564 1.4692 P 0 0 1 0 0 0 0 0 0 0 0 0

-2.2119 0.1295 0.6742 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.8034 -1.0707 1.0767 C 0 0 0 0 0 0 0 0 0 0 0 0

0.7730 -2.4999 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0

1.4301 -2.8356 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0

3.1844 -3.4722 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7335 -1.9203 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7701 -3.4037 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1609 -5.0267 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0

5.3435 -2.8119 -2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2288 -4.1453 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0

6.8142 -0.9734 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0

6.3491 0.5267 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0

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-4.6607 5.2471 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0

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1 2 1 0 0 0 0

1 3 1 0 0 0 0

1 4 1 0 0 0 0

2 5 1 0 0 0 0

2 6 1 0 0 0 0

3 7 1 0 0 0 0

4 8 1 0 0 0 0

4 9 1 0 0 0 0

5 10 1 0 0 0 0

5 11 2 0 0 0 0

6 12 2 0 0 0 0

7 29 1 0 0 0 0

8 13 1 0 0 0 0

10 14 2 0 0 0 0

14 15 1 0 0 0 0

7 8 1 0 0 0 0

12 14 1 0 0 0 0

16 25 1 0 0 0 0

25 17 1 0 0 0 0

17 26 1 0 0 0 0

26 18 1 0 0 0 0

18 27 1 0 0 0 0

27 28 1 0 0 0 0

25 19 2 0 0 0 0

25 20 1 0 0 0 0

26 21 2 0 0 0 0

26 22 1 0 0 0 0

27 23 2 0 0 0 0

27 24 1 0 0 0 0

29 28 1 0 0 0 0

1 30 1 0 0 0 0

4 31 1 0 0 0 0

6 32 1 0 0 0 0

7 33 1 0 0 0 0

8 34 1 0 0 0 0

9 35 1 0 0 0 0

12 36 1 0 0 0 0

13 37 1 0 0 0 0

15 38 1 0 0 0 0

15 39 1 0 0 0 0

16 40 1 0 0 0 0

20 41 1 0 0 0 0

22 42 1 0 0 0 0

24 43 1 0 0 0 0

29 44 1 0 0 0 0

29 45 1 0 0 0 0

M END): 23 ms

reading 45 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

45 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C9H16N3O14P3

Net Charge

Average Mass

483.15644

Monoisotopic Mass

482.98451

InChI

InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey

PCDQPRRSZKQHHS-XVFCMESISA-N

SMILES

Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1

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

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	CTP (CHEBI:17677) has role Escherichia coli metabolite (CHEBI:76971) CTP (CHEBI:17677) has role mouse metabolite (CHEBI:75771) CTP (CHEBI:17677) is a cytidine 5'-phosphate (CHEBI:23521) CTP (CHEBI:17677) is a pyrimidine ribonucleoside 5'-triphosphate (CHEBI:37044) CTP (CHEBI:17677) is conjugate acid of CTP(3−) (CHEBI:58231) CTP (CHEBI:17677) is conjugate acid of CTP(4−) (CHEBI:37563)

Incoming	2'-deoxy-5-hydroxymethyl-CTP (CHEBI:836) has functional parent CTP (CHEBI:17677) 3'-deoxy-3',4'-didehydro-CTP(4−) (CHEBI:166821) has functional parent CTP (CHEBI:17677) ethyl-CTP (CHEBI:62909) has functional parent CTP (CHEBI:17677) CTP(3−) (CHEBI:58231) is conjugate base of CTP (CHEBI:17677) CTP(4−) (CHEBI:37563) is conjugate base of CTP (CHEBI:17677)

IUPAC Name

cytidine 5'-(tetrahydrogen triphosphate)

Synonyms	Sources
5'-CTP	ChemIDplus
CTP	KEGG COMPOUND
Cytidine 5'-triphosphate	KEGG COMPOUND
Cytidine triphosphate	KEGG COMPOUND
CYTIDINE-5'-TRIPHOSPHATE	PDBeChem
H₄ctp	ChEBI

Manual Xrefs	Databases
C00019639	KNApSAcK
C00063	KEGG COMPOUND
CTP	PDBeChem
DB02431	DrugBank
View more database links

Registry Numbers	Types	Sources
65-47-4	CAS Registry Number	ChemIDplus
71190	Beilstein Registry Number	Beilstein
723598	Gmelin Registry Number	Gmelin

Last Modified

27 January 2016

CHEBI:17677 - CTP

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