2'-deoxycytosine 5'-monophosphate (CHEBI:15918)

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CHEBI:15918 - 2'-deoxycytosine 5'-monophosphate

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ChEBI Name	2'-deoxycytosine 5'-monophosphate

ChEBI ID	CHEBI:15918

Definition	A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having cytosine as the nucleobase.

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

Secondary ChEBI IDs	CHEBI:41838, CHEBI:41875, CHEBI:41881, CHEBI:10493, CHEBI:19242, CHEBI:14115, CHEBI:14071, CHEBI:14070

Supplier Information	ChemicalBook:CB9392566, eMolecules:497047, ZINC000004228245

Download	Molfile XML SDF

more structures >>

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Marvin 07260818193D

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Marvin 07260818193D

34 35 0 0 0 0 999 V2000

0.3460 1.7474 -0.2304 N 0 0 0 0 0 0 0 0 0 0 0 0

1.0600 1.6651 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0

1.5561 2.7564 1.4866 N 0 0 0 0 0 0 0 0 0 0 0 0

1.3576 3.9555 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0

0.6097 4.0758 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0

0.1160 2.9574 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0

1.2560 0.5732 1.4138 O 0 0 0 0 0 0 0 0 0 0 0 0

1.8742 5.0760 1.5655 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.1871 0.5297 -0.8455 C 0 0 1 0 0 0 0 0 0 0 0 0

0.9676 -0.4283 -1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0

0.6401 -1.7208 -0.4144 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.8801 -1.5690 -0.1568 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.0430 -0.1537 0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0

0.9101 -2.8796 -1.2065 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.3038 -2.3803 1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.7064 -2.2227 1.2829 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.0800 -3.0996 2.5813 P 0 0 1 0 0 0 0 0 0 0 0 0

-2.3128 -2.6065 3.7465 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.6562 -2.9669 2.8827 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.7138 -4.6428 2.3110 O 0 0 0 0 0 0 0 0 0 0 0 0

2.3853 4.9896 2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0

1.7310 5.9512 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4390 5.0457 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.4562 3.0239 -1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7458 0.7833 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9865 -0.6260 -2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9208 -0.0129 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1918 -1.7573 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8564 -2.8655 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4503 -1.8752 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0775 -3.4336 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7591 -2.0259 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.8369 -3.5048 3.6651 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.2344 -4.9237 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 6 1 0 0 0 0

1 9 1 0 0 0 0

2 3 1 0 0 0 0

2 7 2 0 0 0 0

3 4 2 0 0 0 0

4 5 1 0 0 0 0

4 8 1 0 0 0 0

5 6 2 0 0 0 0

5 23 1 0 0 0 0

6 24 1 0 0 0 0

8 21 1 0 0 0 0

8 22 1 0 0 0 0

9 10 1 0 0 0 0

9 13 1 0 0 0 0

9 25 1 0 0 0 0

10 11 1 0 0 0 0

10 26 1 0 0 0 0

10 27 1 0 0 0 0

11 12 1 0 0 0 0

11 14 1 0 0 0 0

11 28 1 0 0 0 0

12 13 1 0 0 0 0

12 15 1 0 0 0 0

12 30 1 0 0 0 0

14 29 1 0 0 0 0

15 16 1 0 0 0 0

15 31 1 0 0 0 0

15 32 1 0 0 0 0

16 17 1 0 0 0 0

17 18 2 0 0 0 0

17 19 1 0 0 0 0

17 20 1 0 0 0 0

19 33 1 0 0 0 0

20 34 1 0 0 0 0

M END): 17 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

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Formula

C9H14N3O7P

Net Charge

Average Mass

307.19724

Monoisotopic Mass

307.05694

InChI

InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey

NCMVOABPESMRCP-SHYZEUOFSA-N

SMILES

Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)n1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
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. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	2'-deoxycytosine 5'-monophosphate (CHEBI:15918) has role Escherichia coli metabolite (CHEBI:76971) 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) has role mouse metabolite (CHEBI:75771) 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) is a 2'-deoxycytidine phosphate (CHEBI:37092) 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:36995) 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) is conjugate acid of 2'-deoxycytosine 5'-monophosphate(2−) (CHEBI:57566) 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) is enantiomer of 2-deoxy-5-O-phosphono-β-L-ribofuranosylcytosine (CHEBI:41929)

Incoming	2'-deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5'-monophosphate (CHEBI:132165) has functional parent 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) 5-iododeoxycytidine monophosphate (CHEBI:43263) has functional parent 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) 2'-deoxycytosine 5'-monophosphate(2−) (CHEBI:57566) is conjugate base of 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) 2-deoxy-5-O-phosphono-β-L-ribofuranosylcytosine (CHEBI:41929) is enantiomer of 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) 2'-deoxycytidine 5'-monophosphate residue (CHEBI:50321) is substituent group from 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) dCMP 3'-end residue (CHEBI:53119) is substituent group from 2'-deoxycytosine 5'-monophosphate (CHEBI:15918) dCMP 5'-end residue (CHEBI:53104) is substituent group from 2'-deoxycytosine 5'-monophosphate (CHEBI:15918)

IUPAC Name

2'-deoxy-5'-cytidylic acid

Synonyms	Sources
2'-Deoxycytidine 5'-monophosphate	KEGG COMPOUND
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE	PDBeChem
2'-deoxycytosine 5'-monophosphate	ChEBI
dCMP	KEGG COMPOUND
Deoxycytidine monophosphate	KEGG COMPOUND
Deoxycytidylate	KEGG COMPOUND
Deoxycytidylic acid	KEGG COMPOUND

Manual Xrefs	Databases
C00239	KEGG COMPOUND
DB03798	DrugBank
DCM	PDBeChem
View more database links

Registry Number	Type	Source
1032-65-1	CAS Registry Number	ChemIDplus

Last Modified

18 April 2024

CHEBI:15918 - 2'-deoxycytosine 5'-monophosphate

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