ADP (CHEBI:16761)

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CHEBI:16761 - ADP

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ChEBI Name	ADP

ChEBI ID	CHEBI:16761

Definition	A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase.

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

Secondary ChEBI IDs	CHEBI:40553, CHEBI:13222, CHEBI:2342, CHEBI:22244

Supplier Information	ChemicalBook:CB5741946, eMolecules:474954, ZINC000012360703

Download	Molfile XML SDF

more structures >>

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42 44 0 0 0 0 999 V2000

2.5121 -7.7165 3.4981 P 0 0 1 0 0 0 0 0 0 0 0 0

1.8461 -7.9822 4.9820 O 0 0 0 0 0 0 0 0 0 0 0 0

3.3349 -9.0587 3.1506 O 0 0 0 0 0 0 0 0 0 0 0 0

1.4878 -7.5127 2.4811 O 0 0 0 0 0 0 0 0 0 0 0 0

4.3624 -6.2986 2.0780 P 0 0 1 0 0 0 0 0 0 0 0 0

4.8871 -7.7200 1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0

3.3885 -5.7914 1.1678 O 0 0 0 0 0 0 0 0 0 0 0 0

3.6062 -6.4839 3.5335 O 0 0 0 0 0 0 0 0 0 0 0 0

5.5646 -5.1733 2.1505 O 0 0 0 0 0 0 0 0 0 0 0 0

6.4730 -5.5688 3.1666 C 0 0 0 0 0 0 0 0 0 0 0 0

7.8318 -4.9258 2.9120 C 0 0 1 0 0 0 0 0 0 0 0 0

7.7243 -3.5097 2.8638 O 0 0 0 0 0 0 0 0 0 0 0 0

8.8407 -5.2671 4.0209 C 0 0 1 0 0 0 0 0 0 0 0 0

9.8511 -6.0926 3.4628 O 0 0 0 0 0 0 0 0 0 0 0 0

9.4445 -3.9159 4.3711 C 0 0 1 0 0 0 0 0 0 0 0 0

10.8580 -4.0027 4.4501 O 0 0 0 0 0 0 0 0 0 0 0 0

9.0311 -3.0584 3.1857 C 0 0 2 0 0 0 0 0 0 0 0 0

9.0303 -1.6316 3.5238 N 0 0 0 0 0 0 0 0 0 0 0 0

8.2419 -1.0225 4.4323 C 0 0 0 0 0 0 0 0 0 0 0 0

8.5434 0.2980 4.4413 N 0 0 0 0 0 0 0 0 0 0 0 0

9.5150 0.4748 3.5328 C 0 0 0 0 0 0 0 0 0 0 0 0

10.1786 1.6180 3.1424 C 0 0 0 0 0 0 0 0 0 0 0 0

9.8829 2.8739 3.7115 N 0 0 0 0 0 0 0 0 0 0 0 0

11.1550 1.4948 2.1624 N 0 0 0 0 0 0 0 0 0 0 0 0

11.4576 0.2652 1.5861 C 0 0 0 0 0 0 0 0 0 0 0 0

10.7787 -0.8734 1.9894 N 0 0 0 0 0 0 0 0 0 0 0 0

9.8178 -0.7211 2.9637 C 0 0 0 0 0 0 0 0 0 0 0 0

2.0079 -8.8598 5.4594 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3491 -9.8280 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0

4.5045 -8.0437 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0

6.5490 -6.6770 3.1465 H 0 0 0 0 0 0 0 0 0 0 0 0

6.0575 -5.2431 4.1441 H 0 0 0 0 0 0 0 0 0 0 0 0

8.1805 -5.2548 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0

8.4422 -5.8377 4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0

10.0560 -6.9924 3.8779 H 0 0 0 0 0 0 0 0 0 0 0 0

9.1727 -3.5173 5.3718 H 0 0 0 0 0 0 0 0 0 0 0 0

11.3354 -3.7234 5.2976 H 0 0 0 0 0 0 0 0 0 0 0 0

9.6922 -3.1454 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0

7.4766 -1.5223 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0

10.4053 3.7327 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0

9.1396 2.9540 4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0

12.2424 0.1925 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0

26 27 4 0 0 0 0

25 26 4 0 0 0 0

24 25 4 0 0 0 0

22 24 4 0 0 0 0

22 23 1 0 0 0 0

21 27 4 0 0 0 0

21 22 4 0 0 0 0

20 21 4 0 0 0 0

19 20 4 0 0 0 0

18 27 4 0 0 0 0

18 19 4 0 0 0 0

17 18 1 0 0 0 0

15 17 1 0 0 0 0

15 16 1 0 0 0 0

13 15 1 0 0 0 0

13 14 1 0 0 0 0

12 17 1 0 0 0 0

11 13 1 0 0 0 0

11 12 1 0 0 0 0

10 11 1 0 0 0 0

9 10 1 0 0 0 0

5 9 1 0 0 0 0

5 8 1 0 0 0 0

5 7 2 0 0 0 0

5 6 1 0 0 0 0

1 8 1 0 0 0 0

1 4 2 0 0 0 0

1 3 1 0 0 0 0

1 2 1 0 0 0 0

28 2 1 0 0 0 0

29 3 1 0 0 0 0

30 6 1 0 0 0 0

31 10 1 0 0 0 0

32 10 1 0 0 0 0

33 11 1 0 0 0 0

34 13 1 0 0 0 0

35 14 1 0 0 0 0

36 15 1 0 0 0 0

37 16 1 0 0 0 0

38 17 1 0 0 0 0

39 19 1 0 0 0 0

40 23 1 0 0 0 0

41 23 1 0 0 0 0

42 25 1 0 0 0 0

M END): 23 ms

reading 42 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

42 atoms created

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

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Formula

C10H15N5O10P2

Net Charge

Average Mass

427.20110

Monoisotopic Mass

427.02942

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(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
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). fundamental metabolite Any metabolite produced by all living cells. 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	ADP (CHEBI:16761) has role fundamental metabolite (CHEBI:78675) ADP (CHEBI:16761) has role human metabolite (CHEBI:77746) ADP (CHEBI:16761) is a adenosine 5'-phosphate (CHEBI:37096) ADP (CHEBI:16761) is a purine ribonucleoside 5'-diphosphate (CHEBI:37038) ADP (CHEBI:16761) is conjugate acid of ADP(2−) (CHEBI:87518) ADP (CHEBI:16761) is conjugate acid of ADP(3−) (CHEBI:456216)

Incoming	1,3-selenazole-4-carboxamide adenine dinucleotide (CHEBI:47669) has functional parent ADP (CHEBI:16761) 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate (CHEBI:71336) has functional parent ADP (CHEBI:16761) 3'-phosphate-adenosine-5'-diphosphate (CHEBI:44672) has functional parent ADP (CHEBI:16761) 9-ribosyl-trans-zeatin 5'-diphosphate (CHEBI:71875) has functional parent ADP (CHEBI:16761) N⁶-(dimethylallyl)adenosine 5'-diphosphate (CHEBI:71678) has functional parent ADP (CHEBI:16761) ADP orthovanadate (CHEBI:144716) has functional parent ADP (CHEBI:16761) ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) has functional parent ADP (CHEBI:16761) ADP-D-ribose (CHEBI:16960) has functional parent ADP (CHEBI:16761) ADP-sugar (CHEBI:35239) has functional parent ADP (CHEBI:16761) ADP(2−) (CHEBI:87518) is conjugate base of ADP (CHEBI:16761) ADP(3−) (CHEBI:456216) is conjugate base of ADP (CHEBI:16761)

IUPAC Name

adenosine 5'-(trihydrogen diphosphate)

Synonyms	Sources
5'-adenylphosphoric acid	ChemIDplus
Adenosine 5'-diphosphate	KEGG COMPOUND
ADENOSINE-5'-DIPHOSPHATE	PDBeChem
ADP	KEGG COMPOUND
H₃adp	IUPAC

Manual Xrefs	Databases
ADP	PDBeChem
C00008	KEGG COMPOUND
C00019353	KNApSAcK
DB03431	DrugBank
G11113	KEGG GLYCAN
MOL000173	COMe
View more database links

Registry Numbers	Types	Sources
20398-34-9	CAS Registry Number	KEGG COMPOUND
58-64-0	CAS Registry Number	ChemIDplus
67722	Reaxys Registry Number	Reaxys
88452	Gmelin Registry Number	Gmelin

Citation

Chapman J, Soloveichick L, Shavit S, Shoenfeld Y, Korczyn AD (2005)
Antiphospholipid antibodies bind ATP: a putative mechanism for the pathogenesis of neuronal dysfunction.
Clinical & developmental immunology 12, 175-180 [PubMed:16295522]
[show Abstract]

Last Modified

31 May 2024

CHEBI:16761 - ADP

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