adenosine 5'-monophosphate(1+) (CHEBI:40721)

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CHEBI:40721 - adenosine 5'-monophosphate(1+)

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ChEBI Name	adenosine 5'-monophosphate(1+)

ChEBI ID	CHEBI:40721

Definition	An organic cation that is the conjugate acid of adenosine 5'-monophosphate (AMP) obtained by selective protonation at position N1 on the purine moiety.

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

Supplier Information	ZINC000008215581

Download	Molfile XML SDF

more structures >>

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38 40 0 0 0 0 999 V2000

-2.6480 1.0710 -4.5930 N 0 3 0 0 0 0 0 0 0 0 0 0

-2.8610 1.6450 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.9600 1.8430 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.7440 1.4030 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.4000 0.8210 -4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.4260 0.6280 -5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.1650 0.0690 -6.2230 N 0 0 0 0 0 0 0 0 0 0 0 0

0.9260 0.5110 -4.1090 N 0 0 0 0 0 0 0 0 0 0 0 0

1.3960 0.9020 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0

0.4240 1.4500 -2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0

6.5600 4.9520 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0

6.4560 2.5380 -1.4950 O 0 0 0 0 0 0 0 0 0 0 0 0

6.1450 3.5230 -0.2510 P 0 0 1 0 0 0 0 0 0 0 0 0

6.8430 2.7730 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0

2.4250 0.8160 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.9110 1.9360 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.4440 0.9780 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0

3.0030 0.5310 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6220 1.9760 -0.7840 C 0 0 1 0 0 0 0 0 0 0 0 0

0.5180 0.9130 0.3100 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.2100 1.4450 1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0

1.9690 0.6630 0.6770 C 0 0 2 0 0 0 0 0 0 0 0 0

2.1430 0.1970 1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0

2.5950 2.0310 0.4650 C 0 0 2 0 0 0 0 0 0 0 0 0

1.9330 2.5740 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0

4.0920 1.9800 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0

4.5660 3.3010 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1250 2.7690 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3550 0.3630 -6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7830 -0.6370 -6.5870 H 0 0 0 0 0 0 0 0 0 0 0 0

0.0000 0.0010 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0620 1.7680 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0

2.4030 -0.0650 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3990 2.6930 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0

4.3080 1.3880 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0

4.5970 1.5410 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0

7.3510 2.5480 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0

7.8140 2.8420 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 4 0 0 0 0

1 6 4 0 0 0 0

1 17 1 0 0 0 0

2 3 4 0 0 0 0

2 16 1 0 0 0 0

3 4 4 0 0 0 0

4 5 4 0 0 0 0

4 10 4 0 0 0 0

5 6 4 0 0 0 0

5 8 4 0 0 0 0

6 7 1 0 0 0 0

7 29 1 0 0 0 0

7 30 1 0 0 0 0

8 9 4 0 0 0 0

9 10 4 0 0 0 0

9 15 1 0 0 0 0

11 13 2 0 0 0 0

12 13 1 0 0 0 0

12 37 1 0 0 0 0

13 14 1 0 0 0 0

14 38 1 0 0 0 0

19 10 1 0 0 0 0

19 20 1 0 0 0 0

19 25 1 0 0 0 0

19 28 1 0 0 0 0

20 21 1 0 0 0 0

20 22 1 0 0 0 0

20 31 1 0 0 0 0

21 32 1 0 0 0 0

22 23 1 0 0 0 0

22 24 1 0 0 0 0

22 33 1 0 0 0 0

23 18 1 0 0 0 0

24 25 1 0 0 0 0

24 26 1 0 0 0 0

24 34 1 0 0 0 0

26 27 1 0 0 0 0

26 35 1 0 0 0 0

26 36 1 0 0 0 0

27 13 1 0 0 0 0

M CHG 1 1 1

M END): 17 ms

reading 38 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

38 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C10H15N5O7P

Net Charge

Average Mass

348.22920

Monoisotopic Mass

348.07036

InChI

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1

InChIKey

UDMBCSSLTHHNCD-KQYNXXCUSA-O

SMILES

Nc1[nH+]cnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

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

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	adenosine 5'-monophosphate(1+) (CHEBI:40721) has role fundamental metabolite (CHEBI:78675) adenosine 5'-monophosphate(1+) (CHEBI:40721) is a organic cation (CHEBI:25697) adenosine 5'-monophosphate(1+) (CHEBI:40721) is conjugate acid of adenosine 5'-monophosphate (CHEBI:16027)

Incoming	adenosine 5'-monophosphate (CHEBI:16027) is conjugate base of adenosine 5'-monophosphate(1+) (CHEBI:40721)

Synonyms	Sources
AMP(1+)	ChEBI
N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE	PDBeChem

Manual Xref	Database
AP7	PDBeChem
View more database links

Last Modified

13 November 2017

CHEBI:40721 - adenosine 5'-monophosphate(1+)

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