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ZINC 12

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Quick Search ZINC ID or SMILES

Synonyms (50)
Vendors (32)
Annotations (21)
Representations (1)
Notes (9)
Targets (2)
Clustered (2)
Reactome (0)
Rings (0)
Analogs (5)

ZINC03861744

3861744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
October 3^rd, 2005	21	No

Popular Name: Cytidine 5'-monophosphate Cytidine 5'-monophosphate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 08/06/6757 , 104086-76-2 , 13718-47-3 , 63-37-6 , 6757-06-8 , [63-37-6] , [6757-06-8]

Other Names:

"Cytidine 5'-monophosphate disodium salt, 99%"

"Cytidine 5'-monophosphate, 98%"

'Cytidine-5''-monophosphate disodium salt'

((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrog

((2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate

1beta-Ribofuranosylcytosine 5'-phosphate, d-; 2(1H)-pyrimidinone, 4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-; 5'-CMP; 5'-CYTIDYLIC ACID; 5'-Cytidylic acid (8CI,9CI); 5'-Cytidylic acid, homopolymer (9CI); 5'-Cytidylic acid, polymers (8CI); C-5'-P; C25

1beta-Ribofuranosylcytosine 5'-phosphate, d-; 5'-CMP; 5'-Cytidylic acid; BRN 0046982; CMP (nucleotide); Cytidine 3'-(dihydrogen phosphate); Cytidine 5'-(dihydrogenphosphate); Cytidine 5'-monophosphate; Cytidine 5'-monophosphoric acid; Cytidine 5'-phosphat

2',3'-Dideoxy-5'-cytidylic acid

4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-5-yl dihydrogen phosphate

4-Amino-1-(5-O-phosphono-?-D-ribofuranosyl)pyrimidin-2(1H)-on

5'-CMP; 5-Cytidylate; 5-Cytidylic acid; CMP; Cytidine 5'-monophosphate; Cytidine 5'-monophosphorate; Cytidine 5'-monophosphoric acid; Cytidine 5'-phosphate; Cytidine 5'-phosphorate; Cytidine 5'-phosphoric acid; Cytidine mono(dihydrogen phosphate); Cytidin

5'-CMP; 5Cytidylate; 5Cytidylic acid; CMP; Cytidine 5'-monophosphate; Cytidine 5'-monophosphorate; Cytidine 5'-monophosphoric acid; Cytidine 5'-phosphate; Cytidine 5'-phosphorate; Cytidine 5'-phosphoric acid; Cytidine mono(dihydrogen phosphate); Cytidine

5'-CMP;5-Cytidylate;5-Cytidylic acid;CMP;Cytidine 5'-monophosphate;Cytidine 5'-monophosphorate;Cytidine 5'-monophosphoric acid;Cytidine 5'-phosphate;Cytidine 5'-phosphorate;Cytidine 5'-phosphoric acid;Cytidine mono(dihydrogen phosphate);Cytidine monophosp

5'-Cytidylic acid

5'-Cytidylic acid disodium salt

5'-Cytidylic acid, homopolymer; 5'-Cytidylic acid, polymers; LS-118254; NSC 120953; Poly C; Poly(cytidylic acid); Poly(rC); Polyribocytidylic acid; Polyribonucleotide complex C

5'-cytidylic acid; 63-37-6; CMP; cytidine-5'-monophosphate; cytidine-5'-phosphate; cytidine-P; cytidine-monophosphate; cytidine-phosphate; cytidylate; cytidylic acid

63-37-6; C00055; CMP; Cytidine-5'-monophosphate; Cytidylic acid

AMINOOXOPYRIMIDINYLDIHYDROXYTETRAHYDROFURANYLMETHYLDIHYDRO

AMINOOXOPYRIMIDINYLDIHYDROXYTETRAHYDROFURANYLMETHYLDIHYDROGENPHOSPHAT

CHEBI:41312; CHEBI:41319; CHEBI:41691; CHEBI:41666; CHEBI:3275; CHEBI:48799; CHEBI:47362; CHEBI:13274; CHEBI:23520

CMP dianion; Cytidine-5-monophosphate dianion; Cytidine-5-monophosphate(2-)

Cytidine 5 -monophosphate

CYTIDINE 5'-MONOPHOSPHATE DISODIUM SALT

Cytidine 5'-Monophosphate Disodium Salt Hydrate

Cytidine 5'-monophosphate hydrate, 99%

Cytidine 5'-monophosphate sodium salt

Cytidine 5'-monophosphate, 97%, from yeast

Cytidine monophosphate

Cytidine-5'-monophosphate disodium salt

Cytidine-5'-monophosphoric acid hydrate, 99%

CYTIDINE-5'-MONOPHOSPHORIC ACID,DISODIUM

Disodium 5'-O-phosphonatocytidine

Sodium ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.60	-5.1	-162.46	4	11	-2	183	321.182	4	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Mp [°C]	233	Acros Organics
UniProt Database Links	5N3BA_XENLA; 5N3BB_XENLA; 5NT3B_CHICK; 5NT3B_DROME; 5NT3B_HUMAN; 5NT3B_MOUSE; 5NT3B_RAT; 5NTD_PSEAE; AAPT1_ARATH; AAPT2_ARATH; ADPRM_ARATH; ADPRM_BOVIN; ADPRM_DANRE; ADPRM_HUMAN; ADPRM_MOUSE; ADPRM_ORYSJ; ADPRM_RAT; ADPRM_XENLA; ADPRM_XENTR; AIPS_METTH; A	ChEBI
Purity	95%	Fluorochem
Purity	95+%	Matrix Scientific
PUBCHEM_PATENT_ID	EP0009657A1; EP0021337A2; EP0024866A2; EP0093401A1; EP0111211A1; EP0162239A1; EP0162239B1; EP0203381A1; EP0238672A1; EP0243797A2; EP0302807A2; EP0302807B1; EP0304013A2; EP0304013B1; EP0320807A2; EP0478319A1; EP0478319B1; EP0521941A1; EP0653438A2; EP065343	IBM Patent Data
Patent Database Links	EP1806134; US2007218112; WO2007090290	ChEBI
Warnings	IRRITANT	Matrix Scientific
Reactome Database Links	REACT_115891; REACT_115974; REACT_115991; REACT_115996; REACT_116038; REACT_118739; REACT_120834; REACT_120896; REACT_121059; REACT_121076; REACT_121214; REACT_121285; REACT_121330; REACT_1236; REACT_1547; REACT_1618; REACT_1716; REACT_20533; REACT_20588	ChEBI
S phrase	S24/25: Avoid contact with skin and eyes.	Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80064-1-O	CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other	Other	100	0.47	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	430	0.42	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80064	Z80064	CCRF-CEM (T-cell Leukemia)	100	0.47	Functional ≤ 10μM
Z80193	Z80193	L1210 (Lymphocytic Leukemia Cells)	410	0.43	Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description	Species
Keratan sulfate biosynthesis	Taeniopygia guttata Danio rerio Xenopus tropicalis Sus scrofa Gallus gallus Canis familiaris Rattus norvegicus Homo sapiens Bos taurus Mus musculus
mRNA decay by 3' to 5' exoribonuclease	Arabidopsis thaliana Bos taurus Schizosaccharomyces pombe Dictyostelium discoideum Oryza sativa Drosophila melanogaster Gallus gallus Xenopus tropicalis Canis familiaris Rattus norvegicus Danio rerio Mus musculus Homo sapiens Taeniopygia guttata Sus scrofa Caenorhabditis elegans
mRNA decay by 5' to 3' exoribonuclease	Taeniopygia guttata Gallus gallus Homo sapiens Plasmodium falciparum Dictyostelium discoideum Schizosaccharomyces pombe Xenopus tropicalis Canis familiaris Bos taurus Mus musculus Sus scrofa Arabidopsis thaliana Caenorhabditis elegans Oryza sativa Saccharomyces cerevisiae Drosophila melanogaster Rattus norvegicus Danio rerio
Pre-NOTCH Processing in Golgi	Canis familiaris Gallus gallus Bos taurus Danio rerio Xenopus tropicalis Taeniopygia guttata Homo sapiens Rattus norvegicus Mus musculus
Pyrimidine catabolism	Homo sapiens Xenopus tropicalis Arabidopsis thaliana Sus scrofa Canis familiaris Bos taurus Oryza sativa Taeniopygia guttata Rattus norvegicus Gallus gallus Mus musculus Drosophila melanogaster Danio rerio Caenorhabditis elegans
Pyrimidine salvage reactions	Homo sapiens Sus scrofa Oryza sativa Danio rerio Canis familiaris Bos taurus Mus musculus Rattus norvegicus Xenopus tropicalis Drosophila melanogaster Taeniopygia guttata Schizosaccharomyces pombe Dictyostelium discoideum Caenorhabditis elegans Gallus gallus Arabidopsis thaliana
Removal of the Flap Intermediate	Xenopus tropicalis Sus scrofa Danio rerio Mus musculus Homo sapiens Canis familiaris Bos taurus Rattus norvegicus
Removal of the Flap Intermediate from the C-strand	Canis familiaris Homo sapiens Rattus norvegicus Mus musculus Bos taurus Danio rerio Sus scrofa Xenopus tropicalis
Sialic acid metabolism	Bos taurus Taeniopygia guttata Arabidopsis thaliana Drosophila melanogaster Oryza sativa Canis familiaris Homo sapiens Danio rerio Xenopus tropicalis Gallus gallus Schizosaccharomyces pombe Rattus norvegicus Sus scrofa Caenorhabditis elegans Mus musculus
Synthesis and interconversion of nucleotide di- and triphosphates	Gallus gallus Drosophila melanogaster Saccharomyces cerevisiae Schizosaccharomyces pombe Arabidopsis thaliana Taeniopygia guttata Canis familiaris Rattus norvegicus Plasmodium falciparum Sus scrofa Danio rerio Oryza sativa Xenopus tropicalis Bos taurus Caenorhabditis elegans Dictyostelium discoideum Mus musculus Homo sapiens
Synthesis of CL	Oryza sativa Mus musculus Canis familiaris Bos taurus Saccharomyces cerevisiae Drosophila melanogaster Danio rerio Caenorhabditis elegans Arabidopsis thaliana Rattus norvegicus Sus scrofa Xenopus tropicalis Taeniopygia guttata Homo sapiens Gallus gallus
Synthesis of PC	Gallus gallus Dictyostelium discoideum Taeniopygia guttata Sus scrofa Bos taurus Arabidopsis thaliana Plasmodium falciparum Xenopus tropicalis Danio rerio Canis familiaris Rattus norvegicus Homo sapiens Mus musculus Saccharomyces cerevisiae Drosophila melanogaster Schizosaccharomyces pombe Caenorhabditis elegans Oryza sativa
Synthesis of PE	Arabidopsis thaliana Homo sapiens Schizosaccharomyces pombe Plasmodium falciparum Xenopus tropicalis Taeniopygia guttata Dictyostelium discoideum Mus musculus Drosophila melanogaster Bos taurus Saccharomyces cerevisiae Canis familiaris Danio rerio Caenorhabditis elegans Sus scrofa Gallus gallus Oryza sativa Rattus norvegicus
Synthesis of PG	Schizosaccharomyces pombe Mus musculus Homo sapiens Xenopus tropicalis Danio rerio Caenorhabditis elegans Gallus gallus Drosophila melanogaster Plasmodium falciparum Canis familiaris Bos taurus Saccharomyces cerevisiae Sus scrofa Taeniopygia guttata Dictyostelium discoideum Rattus norvegicus
Synthesis of PI	Schizosaccharomyces pombe Danio rerio Saccharomyces cerevisiae Arabidopsis thaliana Dictyostelium discoideum Rattus norvegicus Bos taurus Homo sapiens Plasmodium falciparum Oryza sativa Mus musculus Drosophila melanogaster Canis familiaris Sus scrofa Xenopus tropicalis Caenorhabditis elegans
Termination of O-glycan biosynthesis	Mus musculus Danio rerio Homo sapiens Rattus norvegicus Canis familiaris Taeniopygia guttata Sus scrofa Gallus gallus Drosophila melanogaster Xenopus tropicalis Bos taurus
Transport of nucleotide sugars	Caenorhabditis elegans Schizosaccharomyces pombe Mus musculus Sus scrofa Gallus gallus Taeniopygia guttata Bos taurus Rattus norvegicus Oryza sativa Drosophila melanogaster Xenopus tropicalis Danio rerio Arabidopsis thaliana Canis familiaris Homo sapiens

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (50)
Vendors (32)
Annotations (21)
Representations (1)
Notes (9)
Targets (2)
Clustered (2)
Reactome (0)
Rings (0)
Analogs (5)