ATP (CHEBI:15422)

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CHEBI:15422 - ATP

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ChEBI Name	ATP

ChEBI ID	CHEBI:15422

Definition	An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways.

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

Secondary ChEBI IDs	CHEBI:40938, CHEBI:10841, CHEBI:10789, CHEBI:2359, CHEBI:13236, CHEBI:22249

Supplier Information	ChemicalBook:CB0745383, eMolecules:530569, ZINC000038141428

Download	Molfile XML SDF

more structures >>

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47 49 0 0 1 0 999 V2000

2.5266 -1.6026 0.0476 N 0 0 0 0 0 0 0 0 0 0 0 0

2.7303 -0.5393 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0

4.0980 -0.2595 0.8503 C 0 0 0 0 0 0 0 0 0 0 0 0

4.7244 -1.1654 0.0883 N 0 0 0 0 0 0 0 0 0 0 0 0

3.7553 -1.9731 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0

4.5658 0.8418 1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0

1.8699 0.2219 1.5750 N 0 0 0 0 0 0 0 0 0 0 0 0

3.6597 1.5698 2.2980 N 0 0 0 0 0 0 0 0 0 0 0 0

2.3312 1.2717 2.3048 C 0 0 0 0 0 0 0 0 0 0 0 0

5.8314 1.1781 1.6099 N 0 0 0 0 0 0 0 0 0 0 0 0

1.2797 -2.2248 -0.3056 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.0424 -2.0625 -0.2315 C 0 0 1 0 0 0 0 0 0 0 0 0

0.1755 -1.3083 -0.2601 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.6891 -3.3976 0.4740 C 0 0 2 0 0 0 0 0 0 0 0 0

0.8410 -3.3439 0.6573 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.1709 -4.5018 -0.2879 O 0 0 0 0 0 0 0 0 0 0 0 0

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-3.2396 2.1112 -0.3615 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.8730 2.1354 -0.8962 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.7126 3.5845 0.7025 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.4464 0.8696 0.3614 P 0 0 2 0 0 0 0 0 0 0 0 0

-3.3543 1.1069 1.7812 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.7852 0.3999 0.0961 O 0 0 0 0 0 0 0 0 0 0 0 0

3.9487 -2.7691 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0

1.6831 1.8360 2.8547 H 0 0 0 0 0 0 0 0 0 0 0 0

6.1140 1.9204 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0

6.4583 0.6797 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3533 -2.6220 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0

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2 1 4 0 0 0 0

5 1 4 0 0 0 0

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3 2 4 0 0 0 0

7 2 4 0 0 0 0

6 3 4 0 0 0 0

4 3 4 0 0 0 0

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8 6 4 0 0 0 0

9 7 4 0 0 0 0

9 8 4 0 0 0 0

13 11 1 0 0 0 0

15 11 1 0 0 0 0

13 12 1 0 0 0 0

14 12 1 0 0 0 0

12 18 1 0 0 0 0

15 14 1 0 0 0 0

14 16 1 0 0 0 0

15 17 1 0 0 0 0

19 18 1 0 0 0 0

29 19 1 0 0 0 0

21 20 1 0 0 0 0

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17 41 1 0 0 0 0

18 42 1 0 0 0 0

18 43 1 0 0 0 0

22 44 1 0 0 0 0

24 45 1 0 0 0 0

28 46 1 0 0 0 0

31 47 1 0 0 0 0

M END): 18 ms

reading 47 atoms

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1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

47 atoms created

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

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Wikipedia	License
Perfluorooctanesulfonic acid (PFOS) (conjugate base perfluorooctanesulfonate) is a chemical compound having an eight-carbon fluorocarbon chain and a sulfonic acid functional group, and thus it is a perfluorosulfonic acid and a perfluoroalkyl substance (PFAS). It is an anthropogenic (man-made) fluorosurfactant, now regarded as a global pollutant. PFOS was the key ingredient in Scotchgard, a fabric protector made by 3M, and related stain repellents. The acronym "PFOS" refers to the parent sulfonic acid and to various salts of perfluorooctanesulfonate. These are all colorless or white, water-soluble solids. Although of low acute toxicity, PFOS has attracted much attention for its pervasiveness and environmental impact. It was added to Annex B of the Stockholm Convention on Persistent Organic Pollutants in May 2009.
Read full article at Wikipedia

Formula

C10H16N5O13P3

Net Charge

Average Mass

507.18100

Monoisotopic Mass

506.99575

InChI

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

SMILES

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

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

Roles Classification
Biological Role(s):	micronutrient Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions. fundamental metabolite Any metabolite produced by all living cells. cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via nucleoside 5'-triphoshate )

Application(s):	nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	ATP (CHEBI:15422) has role cofactor (CHEBI:23357) ATP (CHEBI:15422) has role fundamental metabolite (CHEBI:78675) ATP (CHEBI:15422) has role micronutrient (CHEBI:27027) ATP (CHEBI:15422) has role nutraceutical (CHEBI:50733) ATP (CHEBI:15422) is a adenosine 5'-phosphate (CHEBI:37096) ATP (CHEBI:15422) is a purine ribonucleoside 5'-triphosphate (CHEBI:37045) ATP (CHEBI:15422) is conjugate acid of ATP(3−) (CHEBI:57299)

Incoming	2-hydroxy-ATP (CHEBI:65119) has functional parent ATP (CHEBI:15422) 3'-dehydro-ATP (CHEBI:27782) has functional parent ATP (CHEBI:15422) 8-hydroxy-ATP (CHEBI:189101) has functional parent ATP (CHEBI:15422) 8-oxo-ATP (CHEBI:189100) has functional parent ATP (CHEBI:15422) 9-ribosyl-trans-zeatin 5'-triphosphate (CHEBI:71938) has functional parent ATP (CHEBI:15422) N⁶-(dimethylallyl)adenosine 5'-triphosphate (CHEBI:71679) has functional parent ATP (CHEBI:15422) adenosine 5'-[γ-thio]triphosphate (CHEBI:27575) has functional parent ATP (CHEBI:15422) adenosine thiamine triphosphate (CHEBI:71394) has functional parent ATP (CHEBI:15422) ATP-sugar (CHEBI:20855) has functional parent ATP (CHEBI:15422) ethyl-ATP (CHEBI:62910) has functional parent ATP (CHEBI:15422) TNP-ATP (CHEBI:50104) has functional parent ATP (CHEBI:15422) adenosine triphosphate disodium (CHEBI:50732) has part ATP (CHEBI:15422) ATP(3−) (CHEBI:57299) is conjugate base of ATP (CHEBI:15422)

IUPAC Name

adenosine 5'-(tetrahydrogen triphosphate)

Synonyms	Sources
Adenosine 5'-triphosphate	KEGG COMPOUND
Adenosine triphosphate	ChemIDplus
ADENOSINE-5'-TRIPHOSPHATE	PDBeChem
ATP	KEGG COMPOUND
H₄atp	IUPAC

Brand Names	Sources
Adephos	DrugBank
Adetol	DrugBank
Adynol	DrugBank
Atipi	DrugBank
Atriphos	DrugBank
Cardenosine	DrugBank
Fosfobion	DrugBank
Glucobasin	DrugBank
Myotriphos	DrugBank
Triadenyl	DrugBank
Triphosphaden	DrugBank

Manual Xrefs	Databases
91	DrugCentral
Adenosine_triphosphate	Wikipedia
ATP	PDBeChem
C00001491	KNApSAcK
C00002	KEGG COMPOUND
D08646	KEGG DRUG
DB00171	DrugBank
HMDB0000538	HMDB
US3079379	Patent
View more database links

Registry Numbers	Types	Sources
34857	Gmelin Registry Number	Gmelin
56-65-5	CAS Registry Number	KEGG COMPOUND
56-65-5	CAS Registry Number	ChemIDplus
73010	Reaxys Registry Number	Reaxys

Last Modified

18 January 2022

CHEBI:15422 - ATP

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