2'-deoxyadenosine 5'-monophosphate (CHEBI:17713)

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CHEBI:17713 - 2'-deoxyadenosine 5'-monophosphate

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ChEBI Name	2'-deoxyadenosine 5'-monophosphate

ChEBI ID	CHEBI:17713

Definition	A purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase.

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

Secondary ChEBI IDs	CHEBI:40419, CHEBI:40544, CHEBI:40499, CHEBI:40607, CHEBI:40614, CHEBI:40505, CHEBI:41864, CHEBI:41870, CHEBI:41815, CHEBI:10490, CHEBI:19236, CHEBI:14068

Supplier Information	ChemicalBook:CB7388480, eMolecules:484930, ZINC000000895042

Download	Molfile XML SDF

more structures >>

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36 38 0 0 0 0 999 V2000

-1.6325 -0.3639 -0.5159 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.4233 -1.0930 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0

0.3071 -1.0376 -1.7372 C 0 0 1 0 0 0 0 0 0 0 0 0

0.6145 0.3434 -2.0212 O 0 0 0 0 0 0 0 0 0 0 0 0

1.6340 -1.7885 -1.7136 C 0 0 1 0 0 0 0 0 0 0 0 0

1.9413 -2.2568 -3.0243 O 0 0 0 0 0 0 0 0 0 0 0 0

2.6318 -0.7146 -1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0

2.0443 0.5031 -2.0429 C 0 0 2 0 0 0 0 0 0 0 0 0

2.4120 1.7784 -1.4381 N 0 0 0 0 0 0 0 0 0 0 0 0

1.7628 2.4006 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0

2.3288 3.5430 -0.0733 N 0 0 0 0 0 0 0 0 0 0 0 0

3.3923 3.6695 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0

4.3641 4.6525 -1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0

4.3694 5.7893 -0.2561 N 0 0 0 0 0 0 0 0 0 0 0 0

5.3111 4.5010 -2.0394 N 0 0 0 0 0 0 0 0 0 0 0 0

5.2544 3.3844 -2.8056 C 0 0 0 0 0 0 0 0 0 0 0 0

4.3668 2.3673 -2.7558 N 0 0 0 0 0 0 0 0 0 0 0 0

3.4611 2.5822 -1.7895 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.6024 -0.2694 0.7771 P 0 0 2 0 0 0 0 0 0 0 0 0

-3.8605 0.5214 0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.6279 0.2767 1.9466 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.8278 -1.8204 1.1745 O 0 0 0 0 0 0 0 0 0 0 0 0

1.7886 -1.5127 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0

1.6456 -2.6488 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6392 -0.5664 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0

3.6537 -0.9180 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3636 0.5634 -3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3563 -1.4015 -2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1920 -0.6473 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6518 -2.1278 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.0115 0.4830 2.8261 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.4647 -2.0396 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8872 1.9736 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0

6.0271 3.2966 -3.5612 H 0 0 0 0 0 0 0 0 0 0 0 0

4.8234 5.7477 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0

3.8408 6.5970 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 19 1 0 0 0 0

2 3 1 0 0 0 0

2 29 1 0 0 0 0

2 30 1 0 0 0 0

3 4 1 0 0 0 0

3 5 1 0 0 0 0

3 28 1 0 0 0 0

4 8 1 0 0 0 0

5 6 1 0 0 0 0

5 7 1 0 0 0 0

5 24 1 0 0 0 0

6 23 1 0 0 0 0

7 8 1 0 0 0 0

7 25 1 0 0 0 0

7 26 1 0 0 0 0

8 9 1 0 0 0 0

8 27 1 0 0 0 0

9 10 4 0 0 0 0

9 18 4 0 0 0 0

10 11 4 0 0 0 0

10 33 1 0 0 0 0

11 12 4 0 0 0 0

12 13 4 0 0 0 0

12 18 4 0 0 0 0

13 14 1 0 0 0 0

13 15 4 0 0 0 0

14 35 1 0 0 0 0

14 36 1 0 0 0 0

15 16 4 0 0 0 0

16 17 4 0 0 0 0

16 34 1 0 0 0 0

17 18 4 0 0 0 0

19 20 2 0 0 0 0

19 21 1 0 0 0 0

19 22 1 0 0 0 0

21 31 1 0 0 0 0

22 32 1 0 0 0 0

M END): 25 ms

reading 36 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

36 atoms created

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

Script completed

Jmol script terminated

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Wikipedia	License
[object Object]
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Formula

C10H14N5O6P

Net Charge

Average Mass

331.22202

Monoisotopic Mass

331.06817

InChI

InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChIKey

KHWCHTKSEGGWEX-RRKCRQDMSA-N

SMILES

Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

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

Roles Classification
Biological Role(s):	fundamental metabolite Any metabolite produced by all living cells.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) has role fundamental metabolite (CHEBI:78675) 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) is a 2'-deoxyadenosine 5'-phosphate (CHEBI:19237) 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) is a purine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:36993) 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) is conjugate acid of 2'-deoxyadenosine 5'-monophosphate(2−) (CHEBI:58245)

Incoming	8,5'-cyclo-2'-deoxyadenosine monophosphate (CHEBI:131827) has functional parent 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) 8-hydroxy-dAMP (CHEBI:70964) has functional parent 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) 8-oxo-dAMP (CHEBI:71403) has functional parent 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) N⁶-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate (CHEBI:103067) has functional parent 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) 2'-deoxyadenosine 5'-monophosphate(2−) (CHEBI:58245) is conjugate base of 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) 2'-deoxyadenosine 5'-monophosphate residue (CHEBI:50323) is substituent group from 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) dAMP 3'-end residue (CHEBI:53113) is substituent group from 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713) dAMP 5'-end residue (CHEBI:53099) is substituent group from 2'-deoxyadenosine 5'-monophosphate (CHEBI:17713)

IUPAC Name

2'-deoxy-5'-adenylic acid

Synonyms	Sources
2'-dAMP	ChemIDplus
2'-deoxy-5'-adenosine monophosphate	ChemIDplus
2'-deoxy-AMP	ChemIDplus
2'-deoxyadenosine 5'-(dihydrogen phosphate)	ChemIDplus
2'-deoxyadenosine 5'-monophosphate	ChEBI
2'-Deoxyadenosine 5'-monophosphate	KEGG COMPOUND
2'-Deoxyadenosine 5'-phosphate	KEGG COMPOUND
2'-deoxyadenosine monophosphate	ChemIDplus
2'-DEOXYADENOSINE-5'-MONOPHOSPHATE	PDBeChem
2'-deoxyadenylic acid	ChemIDplus
dAMP	KEGG COMPOUND
deoxy-5'-adenylic acid	ChemIDplus
deoxy-AMP	ChemIDplus
deoxyadenosine 5'-monophosphate	ChemIDplus
deoxyadenosine 5'-phosphate	ChemIDplus
Deoxyadenosine monophosphate	KEGG COMPOUND
Deoxyadenylic acid	KEGG COMPOUND

Manual Xrefs	Databases
A3A	PDBeChem
C00360	KEGG COMPOUND
DAMP	MetaCyc
Deoxyadenosine_monophosphate	Wikipedia
HMDB0000905	HMDB
View more database links

Registry Numbers	Types	Sources
56028	Reaxys Registry Number	Reaxys
653-63-4	CAS Registry Number	ChemIDplus

Citation	Type	Source
8645724	PubMed citation	Europe PMC

Last Modified

13 November 2017

CHEBI:17713 - 2'-deoxyadenosine 5'-monophosphate

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