3'-CMP (CHEBI:53013)

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CHEBI:53013 - 3'-CMP

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ChEBI Name	3'-CMP

ChEBI ID	CHEBI:53013

Definition	A cytidine 3'-phosphate compound with a monophosphate group at the 3'-position.

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

Secondary ChEBI IDs	CHEBI:41615, CHEBI:41345, CHEBI:1335, CHEBI:23517, CHEBI:28929

Supplier Information	ChemicalBook:CB0854287, ChemicalBook:CB7875542, ChemicalBook:CB5855623, ChemicalBook:CB0122872, eMolecules:481062

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

Marvin 09130717473D

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Marvin 09130717473D

34 35 0 0 0 0 999 V2000

6.6089 1.0442 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4013 -2.1371 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0

6.3166 -0.2120 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8011 -2.2674 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0607 1.2496 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.4305 1.2899 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9190 -0.1826 -0.9664 C 0 0 1 0 0 0 0 0 0 0 0 0

3.1080 0.8732 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.0767 0.7533 -0.2349 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.4328 0.0507 -0.4985 C 0 0 1 0 0 0 0 0 0 0 0 0

4.7491 0.2174 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.0471 -1.4002 -0.8461 C 0 0 2 0 0 0 0 0 0 0 0 0

3.8868 -0.7749 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.7184 -2.3684 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0

2.6426 -0.8935 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0

0.9399 0.0380 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0662 1.7535 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.9462 0.5204 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.3537 -1.6309 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0

4.2106 -1.4244 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7848 -4.2849 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9622 -1.6429 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0

2.2602 -0.0608 -0.3897 N 0 0 0 0 0 0 0 0 0 0 0 0

4.3329 1.0058 -0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0

6.0166 0.3633 1.1441 N 0 0 0 0 0 0 0 0 0 0 0 0

2.7490 1.6101 -1.7618 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2084 0.8029 1.1645 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.2539 0.0835 0.6706 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.2844 0.0047 -0.8267 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.3385 2.2807 -0.2826 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.6158 0.8611 1.5245 O 0 0 0 0 0 0 0 0 0 0 0 0

0.3820 -1.5019 -0.7304 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.3415 -3.7084 -0.1933 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.6374 0.7902 0.2479 P 0 0 2 0 0 0 0 0 0 0 0 0

7 9 1 0 0 0 0

7 16 1 0 0 0 0

7 23 1 0 0 0 0

7 32 1 0 0 0 0

8 26 2 0 0 0 0

9 10 1 0 0 0 0

9 17 1 0 0 0 0

9 27 1 0 0 0 0

10 12 1 0 0 0 0

10 18 1 0 0 0 0

10 28 1 0 0 0 0

11 13 1 0 0 0 0

12 14 1 0 0 0 0

12 19 1 0 0 0 0

12 32 1 0 0 0 0

13 15 2 0 0 0 0

13 20 1 0 0 0 0

14 2 1 0 0 0 0

14 4 1 0 0 0 0

14 33 1 0 0 0 0

15 22 1 0 0 0 0

23 8 1 0 0 0 0

23 15 1 0 0 0 0

24 8 1 0 0 0 0

24 11 2 0 0 0 0

25 1 1 0 0 0 0

25 3 1 0 0 0 0

25 11 1 0 0 0 0

27 5 1 0 0 0 0

31 6 1 0 0 0 0

33 21 1 0 0 0 0

34 28 1 0 0 0 0

34 29 2 0 0 0 0

34 30 1 0 0 0 0

34 31 1 0 0 0 0

M END): 18 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

C9H14N3O8P

Net Charge

Average Mass

323.19650

Monoisotopic Mass

323.05185

InChI

InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey

UOOOPKANIPLQPU-XVFCMESISA-N

SMILES

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	3'-CMP (CHEBI:53013) has role Escherichia coli metabolite (CHEBI:76971) 3'-CMP (CHEBI:53013) has role metabolite (CHEBI:25212) 3'-CMP (CHEBI:53013) has role mouse metabolite (CHEBI:75771) 3'-CMP (CHEBI:53013) is a cytidine 3'-phosphate (CHEBI:23518) 3'-CMP (CHEBI:53013) is a pyrimidine ribonucleoside 3'-monophosphate (CHEBI:37018) 3'-CMP (CHEBI:53013) is conjugate acid of 3'-CMP(2−) (CHEBI:60875)

Incoming	cytidylyl-(3'→5')-guanosine (CHEBI:167896) has functional parent 3'-CMP (CHEBI:53013) 3'-CMP(2−) (CHEBI:60875) is conjugate base of 3'-CMP (CHEBI:53013)

IUPAC Name

3'-cytidylic acid

Synonyms	Sources
3'-CMP	KEGG COMPOUND
3'-Cytidylic acid	ChemIDplus
Cytidine 3'-monophosphate	ChemIDplus
Cytidine 3'-phosphate	KEGG COMPOUND
CYTIDINE-3'-MONOPHOSPHATE	PDB
Cytidine-3'-Monophosphate	DrugBank

Manual Xrefs	Databases
C05822	KEGG COMPOUND
C3P	PDBeChem
CPD-3711	MetaCyc
DB01961	DrugBank
View more database links

Registry Numbers	Types	Sources
46971	Beilstein Registry Number	Beilstein
46971	Reaxys Registry Number	Reaxys
63-37-6	CAS Registry Number	KEGG COMPOUND
84-52-6	CAS Registry Number	ChemIDplus

Citations	Types	Sources
20602460	PubMed citation	Europe PMC
5256413	PubMed citation	Europe PMC

Last Modified

06 April 2021

CHEBI:53013 - 3'-CMP

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