MiMeDB: Showing metabocard for (Z)-3-Ureidoacrylate (MMDBc0031767)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:48:30 UTC

Update Date

2022-08-31 18:24:29 UTC

Metabolite ID

MMDBc0031767

Metabolite Identification

Common Name

(Z)-3-Ureidoacrylate

Description

(Z)-3-Ureidoacrylate is an intermediate in the degradation of pyrimidines. It is a substrate for the enzyme Peroxyureidoacrylate/ureidoacrylate amidohydrolase which catalyzes the reaction (Z)-3-ureidoacrylate peracid + H(2)O = (Z)-3-peroxyaminoacrylate + NH(3). This enzyme quickly hydrolyzes the ureidoacrylate peracid to avoid toxicity, but can also hydrolyzes ureidoacrylate that is formed spontaneously from ureidoacrylate peracid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(Z)-3-Ureido-2-propenoic acid	ChEBI
(Z)-3-Ureido-2-propenoate	Generator
(Z)-3-Ureidoacrylic acid	Generator
(Z)-3-Ureidoacrylate	KEGG
Ureidoacrylic acid	Generator

Molecular Formula

C₄H₆N₂O₃

Average Mass

130.102

Monoisotopic Mass

130.037842068

IUPAC Name

(2Z)-3-[(C-hydroxycarbonimidoyl)amino]prop-2-enoic acid

Traditional Name

(2Z)-3-(C-hydroxycarbonimidoylamino)prop-2-enoic acid

CAS Registry Number

Not Available

SMILES

[H]\C(NC(O)=N)=C(/[H])C(O)=O

InChI Identifier

InChI=1S/C4H6N2O3/c5-4(9)6-2-1-3(7)8/h1-2H,(H,7,8)(H3,5,6,9)/b2-1-

InChI Key

JDSSVQWHYUVDDF-UPHRSURJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Acrylic acids and derivatives

Direct Parent

Acrylic acids and derivatives

Alternative Parents

Substituents

Acrylic acid or derivatives
Vinylogous amide
Urea
Carbonic acid derivative
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ureas (CHEBI:59890 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.2 g/L	ALOGPS
logP	-0.9	ALOGPS
logP	-1.9	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.05	ChemAxon
pKa (Strongest Basic)	9.42	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	93.41 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	39.98 m³·mol⁻¹	ChemAxon
Polarizability	11.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03k9-9800000000-be7f065daa29e9f9a4cd	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9100000000-1a68f2e87e634d44d2b5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00fr-9000000000-e0115b9a01fd552fda1e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002u-9300000000-6a8d059f4ed54a895f5b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000f-9100000000-6bc4311acdd6ef9883d3	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-4356dbb2d89d67dc4377	2015-09-15	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	326.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	197.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	73.2
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	332.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	308.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	412.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	858.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	597.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	1068.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	241.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	292.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	261.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	53.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	469.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	883.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	99.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	333.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1010.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	711.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_1	C[Si](C)(C)OC(=N)N/C=C\C(=O)O	standard non polar	2025-10-24	1959.47
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_2	C[Si](C)(C)OC(=O)/C=C\NC(=N)O	standard non polar	2025-10-24	1749.91
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_3	C[Si](C)(C)N(/C=C\C(=O)O)C(=N)O	standard non polar	2025-10-24	2078.91
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_4	C[Si](C)(C)N=C(O)N/C=C\C(=O)O	standard non polar	2025-10-24	1908.79
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_5	C[Si](C)(C)OC(=N)N/C=C\C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	1688.57
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_6	C[Si](C)(C)N=C(N/C=C\C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1821.02
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_7	C[Si](C)(C)OC(=N)N(/C=C\C(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	2188.85
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_8	C[Si](C)(C)OC(=O)/C=C\N(C(=N)O)[Si](C)(C)C	standard non polar	2025-10-24	1776.16
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_9	C[Si](C)(C)N=C(O)N/C=C\C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	1611.39
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_10	C[Si](C)(C)N=C(O)N(/C=C\C(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	2259.21
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_11	C[Si](C)(C)N=C(N/C=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1580.58
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_12	C[Si](C)(C)OC(=N)N(/C=C\C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2302.37
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_13	C[Si](C)(C)N=C(O[Si](C)(C)C)N(/C=C\C(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	1588.2
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_14	C[Si](C)(C)N=C(O)N(/C=C\C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2467.22
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_15	C[Si](C)(C)N=C(O[Si](C)(C)C)N(/C=C\C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2035.32
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_1	C[Si](C)(C)OC(=N)N/C=C\C(=O)O	standard polar	2025-10-24	2131.29
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_2	C[Si](C)(C)OC(=O)/C=C\NC(=N)O	standard polar	2025-10-24	1937.87
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_3	C[Si](C)(C)N(/C=C\C(=O)O)C(=N)O	standard polar	2025-10-24	1945.58
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_4	C[Si](C)(C)N=C(O)N/C=C\C(=O)O	standard polar	2025-10-24	1837.99
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_5	C[Si](C)(C)OC(=N)N/C=C\C(=O)O[Si](C)(C)C	standard polar	2025-10-24	1876.42
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_6	C[Si](C)(C)N=C(N/C=C\C(=O)O)O[Si](C)(C)C	standard polar	2025-10-24	2389.21
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_7	C[Si](C)(C)OC(=N)N(/C=C\C(=O)O)[Si](C)(C)C	standard polar	2025-10-24	2469.99
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_8	C[Si](C)(C)OC(=O)/C=C\N(C(=N)O)[Si](C)(C)C	standard polar	2025-10-24	2257.31
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_9	C[Si](C)(C)N=C(O)N/C=C\C(=O)O[Si](C)(C)C	standard polar	2025-10-24	2067.0
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_10	C[Si](C)(C)N=C(O)N(/C=C\C(=O)O)[Si](C)(C)C	standard polar	2025-10-24	1590.54
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_11	C[Si](C)(C)N=C(N/C=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2516.93
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_12	C[Si](C)(C)OC(=N)N(/C=C\C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1929.0
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_13	C[Si](C)(C)N=C(O[Si](C)(C)C)N(/C=C\C(=O)O)[Si](C)(C)C	standard polar	2025-10-24	1985.57
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_14	C[Si](C)(C)N=C(O)N(/C=C\C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2219.68
Gas Chromatography	(Z)-3-Ureidoacrylate_TMS_15	C[Si](C)(C)N=C(O[Si](C)(C)C)N(/C=C\C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1881.67

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Uracil Degradation III		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Escherichia coli CFT073 Ochrobactrum anthropi Klebsiella pneumoniae Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Mycobacterium avium Roseobacter denitrificans Burkholderia vietnamiensis Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Agrobacterium tumefaciens Klebsiella variicola Achromobacter xylosoxidans A8 Agrobacterium tumefaciens str. C58 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Spirosoma linguale DSM 74 Spirosoma linguale Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Alcaligenes faecalis Burkholderia cepacia GG4 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Klebsiella aerogenes Hafnia alvei Serratia marcescens subsp. marcescens Db11 Acinetobacter pittii Rhodococcus erythropolis Brevibacterium linens Ralstonia eutropha H16 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Catenulispora acidiphila DSM 44928 Conexibacter woesei DSM 14684 Deinococcus proteolyticus MRP Frankia alni ACN14a Kribbella flavida DSM 17836 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Nakamurella multipartita DSM 44233 Pseudonocardia dioxanivorans CB1190 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus nidulans FGSC A4 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium decumbens Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Klebsiella aerogenes KCTC 2190 Acidovorax citrulli AAC00-1 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bordetella avium 197N Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter segnis ATCC 21756 Citrobacter rodentium ICC168 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Deinococcus deserti VCD115 Dickeya dadantii Ech703 Dickeya dadantii Ech586 Dinoroseobacter shibae DFL 12 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Methylibium petroleiphilum PM1 Methylobacterium nodulans ORS 2060 Microbacterium testaceum StLB037 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Xanthomonas axonopodis pv. citri str. 306 Paracoccus denitrificans PD1222 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Polaromonas naphthalenivorans CJ2 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingomonas wittichii RW1 Thermomicrobium roseum DSM 5159 Variovorax paradoxus EPS Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	67	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C20254

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1751484

PDB ID

Not Available

ChEBI ID

59890

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for (Z)-3-Ureidoacrylate (MMDBc0031767)

MOL for #<Metabolite:0x00007f9a9dd071b0>

3D MOL for #<Metabolite:0x00007f9a9dd071b0>

3D SDF for #<Metabolite:0x00007f9a9dd071b0>

3D-SDF for #<Metabolite:0x00007f9a9dd071b0>

PDB for #<Metabolite:0x00007f9a9dd071b0>

3D PDB for #<Metabolite:0x00007f9a9dd071b0>

SMILES for #<Metabolite:0x00007f9a9dd071b0>

INCHI for #<Metabolite:0x00007f9a9dd071b0>

Structure for #<Metabolite:0x00007f9a9dd071b0>

3D Structure for #<Metabolite:0x00007f9a9dd071b0>