2',3'-cyclic AMP (CHEBI:27844)

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CHEBI:27844 - 2',3'-cyclic AMP

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ChEBI Name	2',3'-cyclic AMP

ChEBI ID	CHEBI:27844

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

Secondary ChEBI IDs	CHEBI:40469, CHEBI:823, CHEBI:19212

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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34 37 0 0 0 0 999 V2000

3.6881 -1.8197 2.1092 O 0 0 0 0 0 0 0 0 0 0 0 0

2.9605 -2.4109 0.9640 P 0 0 2 0 0 0 0 0 0 0 0 0

3.9124 -3.3277 0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0

2.2321 -1.2531 0.0755 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.5071 0.5068 -0.4503 N 0 0 0 0 0 0 0 0 0 0 0 0

-1.4614 1.2285 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.5005 2.4415 -0.2666 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.5729 2.5768 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.1757 3.6249 -2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.7781 4.8684 -2.0107 N 0 0 0 0 0 0 0 0 0 0 0 0

0.7967 3.3961 -2.9688 N 0 0 0 0 0 0 0 0 0 0 0 0

1.3770 2.2129 -3.0532 C 0 0 0 0 0 0 0 0 0 0 0 0

1.0340 1.2013 -2.2849 N 0 0 0 0 0 0 0 0 0 0 0 0

0.0724 1.3352 -1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.0926 0.8491 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0

2.1630 2.0707 -3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0

4.2164 -4.0596 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0

1.6597 -3.2536 1.4738 O 0 0 0 0 0 0 0 0 0 0 0 0

0.6577 -2.2370 1.6544 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.6765 -2.7412 1.0611 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.2626 -1.5802 0.4329 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.5904 -3.2666 2.1695 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.7987 -3.7670 1.5925 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1632 -0.8957 -0.2059 C 0 0 2 0 0 0 0 0 0 0 0 0

1.0048 -0.9959 0.8009 C 0 0 2 0 0 0 0 0 0 0 0 0

0.5481 -1.9754 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.4922 -3.5204 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0856 -4.0685 2.7067 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.8264 -2.4572 2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.3457 -4.0876 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0

0.0988 -1.3901 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.4922 5.5845 -2.5983 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4892 5.0219 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0843 -0.0890 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 2 0 0 0 0

2 3 1 0 0 0 0

2 4 1 0 0 0 0

2 18 1 0 0 0 0

3 17 1 0 0 0 0

4 25 1 0 0 0 0

5 6 4 0 0 0 0

5 14 4 0 0 0 0

6 7 4 0 0 0 0

6 15 1 0 0 0 0

7 8 4 0 0 0 0

8 9 4 0 0 0 0

8 14 4 0 0 0 0

9 10 1 0 0 0 0

9 11 4 0 0 0 0

10 32 1 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 16 1 0 0 0 0

13 14 4 0 0 0 0

18 19 1 0 0 0 0

19 20 1 0 0 0 0

19 25 1 0 0 0 0

19 26 1 0 0 0 0

20 21 1 0 0 0 0

20 22 1 0 0 0 0

20 27 1 0 0 0 0

21 24 1 0 0 0 0

22 23 1 0 0 0 0

22 28 1 0 0 0 0

22 29 1 0 0 0 0

23 30 1 0 0 0 0

24 5 1 0 0 0 0

24 25 1 0 0 0 0

24 31 1 0 0 0 0

25 34 1 0 0 0 0

M END): 23 ms

reading 34 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

34 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C10H12N5O6P

Net Charge

Average Mass

329.20614

Monoisotopic Mass

329.05252

InChI

InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

KMYWVDDIPVNLME-KQYNXXCUSA-N

SMILES

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12

Metabolite of Species	Details
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.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	2',3'-cyclic AMP (CHEBI:27844) has role Escherichia coli metabolite (CHEBI:76971) 2',3'-cyclic AMP (CHEBI:27844) is a 2',3'-cyclic purine nucleotide (CHEBI:19217) 2',3'-cyclic AMP (CHEBI:27844) is conjugate acid of 2',3'-cyclic AMP(1−) (CHEBI:60879)

Incoming	2',3'-cyclic AMP(1−) (CHEBI:60879) is conjugate base of 2',3'-cyclic AMP (CHEBI:27844)

IUPAC Name

adenosine 2',3'-(hydrogen phosphate)

Synonyms	Sources
(3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide	PDBeChem
2',3'-Cyclic AMP	KEGG COMPOUND
adenosine cyclic 2',3'-(hydrogen phosphate)	ChemIDplus

Manual Xrefs	Databases
ACK	PDBeChem
C02353	KEGG COMPOUND
View more database links

Registry Numbers	Types	Sources
55095	Beilstein Registry Number	Beilstein
634-01-5	CAS Registry Number	ChemIDplus

Last Modified

25 January 2016

CHEBI:27844 - 2',3'-cyclic AMP

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