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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-10-30 10:32:48 UTC

Update Date

2023-02-21 17:29:11 UTC

HMDB ID

HMDB0059663

Secondary Accession Numbers

HMDB59663

Metabolite Identification

Common Name

2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline

Description

2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline (CAS: 255828-59-2), also known as OHCU, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Outside of the human body, 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline has been detected, but not quantified, in soybeans. This could make 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline a potential biomarker for the consumption of these foods. 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline is part of the purine metabolism pathway. It is a substrate for putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309152017352D          

 14 14  0  0  0  0            999 V2000
10001.073410000.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.788210000.5850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.073410001.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.993110000.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8139 9999.4162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.8139 9998.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.241710000.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.1032 9998.1790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.5286 9998.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.690510001.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.023110000.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2780 9999.8105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.1030 9999.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.357910000.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  1 14  1  0  0  0  0
 14  4  1  6  0  0  0
 13  5  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0059663

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=O)NC1=NC(=O)N[C@@]1(O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)/t5-/m0/s1

> <INCHI_KEY>
WHKYNCPIXMNTRQ-YFKPBYRVSA-N

> <FORMULA>
C5H6N4O5

> <MOLECULAR_WEIGHT>
202.126

> <EXACT_MASS>
202.033819309

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
15.989968651405647

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S)-4-(carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylic acid

> <ALOGPS_LOGP>
-1.86

> <JCHEM_LOGP>
-2.2777762976666662

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.332369787461557

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5311433200394338

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1180337776917915

> <JCHEM_POLAR_SURFACE_AREA>
154.11

> <JCHEM_REFRACTIVITY>
38.66830000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S)-5-(carbamoylamino)-4-hydroxy-2-oxo-3H-imidazole-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-SEP-20         0                                  
HETATM    1  C   UNK     0    8668.6708668.528   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8670.0058667.759   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8668.6708670.066   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8668.5208666.770   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0    8668.1868665.577   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0    8668.1868664.038   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8663.3858668.235   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    8666.8598663.267   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0    8669.5208663.267   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    8666.0898668.683   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0    8664.8438667.778   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    8665.3198666.313   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0    8666.8598666.313   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8667.3358667.778   0.000  0.00  0.00           C+0
CONECT    1    2    3   14                                                  
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4   14                                                            
CONECT    5    6   13                                                       
CONECT    6    5    8    9                                                  
CONECT    7   11                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10   11   14                                                       
CONECT   11   10   12    7                                                  
CONECT   12   11   13                                                       
CONECT   13   14   12    5                                                  
CONECT   14   13   10    1    4                                             
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(5S)-2,5-Dihydroxy-4-[(C-hydroxycarbonimidoyl)imino]-4,5-dihydro-1H-imidazole-5-carboxylate	Generator
(4S)-5-(Carbamoylimino)-4-hydroxy-2-oxoimidazolidine-4-carboxylic acid	HMDB
(5S)-4-[(Aminocarbonyl)amino]-2,5-dihydro-5-hydroxy-2-oxo-1H-imidazole-5-carboxylic acid	HMDB
(S)-2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline	HMDB
(S)-5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate	HMDB
(S)-OHCU	HMDB
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazole	HMDB
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline	HMDB
4-(Carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylate	HMDB
4-[(Aminocarbonyl)amino]-2,5-dihydro-5-hydroxy-2-oxo-1H-imidazole-5-carboxylic acid	HMDB
5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate	HMDB
OHCU	HMDB

Chemical Formula

C₅H₆N₄O₅

Average Molecular Weight

202.126

Monoisotopic Molecular Weight

202.033819309

IUPAC Name

(5S)-4-(carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylic acid

Traditional Name

(4S)-5-(carbamoylamino)-4-hydroxy-2-oxo-3H-imidazole-4-carboxylic acid

CAS Registry Number

1320343-65-4

SMILES

NC(=O)NC1=NC(=O)N[C@@]1(O)C(O)=O

InChI Identifier

InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)/t5-/m0/s1

InChI Key

WHKYNCPIXMNTRQ-YFKPBYRVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Hydroxy acid
Alpha-hydroxy acid
3-imidazoline
Urea
Carbonic acid derivative
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid amidine
Amidine
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Not Available

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Urate Degradation to Ureidoglycolate (PathBank: SMP0012053)
Urate Degradation to Glyoxylate (PathBank: SMP0012066)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.92 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-2.3	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	2.53	ChemAxon
pKa (Strongest Basic)	-1.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	154.11 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	38.67 m³·mol⁻¹	ChemAxon
Polarizability	15.99 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	139.797	30932474
DeepCCS	[M-H]-	137.401	30932474
DeepCCS	[M-2H]-	171.366	30932474
DeepCCS	[M+Na]+	145.989	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline	NC(=O)NC1=NC(=O)N[C@@]1(O)C(O)=O	3323.0	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline	NC(=O)NC1=NC(=O)N[C@@]1(O)C(O)=O	2137.5	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline	NC(=O)NC1=NC(=O)N[C@@]1(O)C(O)=O	2474.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TMS,isomer #1	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(N)=O	2282.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(N)=O	2218.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TMS,isomer #3	C[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O)C(=O)O	2321.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TMS,isomer #4	C[Si](C)(C)N(C(N)=O)C1=NC(=O)N[C@@]1(O)C(=O)O	2267.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TMS,isomer #5	C[Si](C)(C)N1C(=O)N=C(NC(N)=O)[C@]1(O)C(=O)O	2253.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1NC(N)=O	2221.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #10	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O	2348.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #11	C[Si](C)(C)N(C(N)=O)C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O	2202.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #2	C[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O	2317.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #3	C[Si](C)(C)O[C@]1(C(=O)O)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C	2290.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #4	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C	2266.9	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #5	C[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C	2250.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@]1(O)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C	2237.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C	2188.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #8	C[Si](C)(C)N(C(=O)NC1=NC(=O)N[C@@]1(O)C(=O)O)[Si](C)(C)C	2353.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TMS,isomer #9	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O)[Si](C)(C)C	2317.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #1	C[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2283.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #1	C[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1990.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #1	C[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4348.0	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #10	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C	2305.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #10	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C	2099.6	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #10	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C	3607.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2155.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	1978.8	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3467.2	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #12	C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC(=O)N[C@@]1(O)C(=O)O	2305.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #12	C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC(=O)N[C@@]1(O)C(=O)O	2129.2	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #12	C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC(=O)N[C@@]1(O)C(=O)O	3876.0	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #13	C[Si](C)(C)N1C(=O)N=C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@]1(O)C(=O)O	2337.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #13	C[Si](C)(C)N1C(=O)N=C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@]1(O)C(=O)O	2182.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #13	C[Si](C)(C)N1C(=O)N=C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@]1(O)C(=O)O	3630.4	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #14	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O)[Si](C)(C)C	2245.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #14	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O)[Si](C)(C)C	2067.6	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #14	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O)[Si](C)(C)C	3433.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C	2265.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C	2053.2	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C	3770.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C	2207.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C	1919.5	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C	3938.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #4	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	2355.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #4	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	2087.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #4	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	4298.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #5	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2309.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #5	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2020.2	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #5	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4055.0	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #6	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O	2340.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #6	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O	2076.9	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #6	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O	3645.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #7	C[Si](C)(C)O[C@]1(C(=O)O)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2182.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #7	C[Si](C)(C)O[C@]1(C(=O)O)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2000.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #7	C[Si](C)(C)O[C@]1(C(=O)O)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3480.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	2296.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	2094.9	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	3951.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #9	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2228.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #9	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2005.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TMS,isomer #9	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3709.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	2338.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	2077.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C	4173.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #10	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2228.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #10	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2081.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #10	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3163.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #11	C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O	2260.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #11	C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O	2179.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #11	C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC(=O)N([Si](C)(C)C)[C@@]1(O)C(=O)O	3243.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #2	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2259.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #2	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2024.9	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #2	C[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3874.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #3	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2303.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #3	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2100.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #3	C[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3507.5	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2174.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2032.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(N(C(N)=O)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3362.9	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #5	C[Si](C)(C)O[C@]1(C(=O)O)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2312.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #5	C[Si](C)(C)O[C@]1(C(=O)O)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2159.2	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #5	C[Si](C)(C)O[C@]1(C(=O)O)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3427.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #6	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2294.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #6	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2123.1	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #6	C[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3828.7	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #7	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2235.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #7	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2105.6	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #7	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3167.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@]1(O)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2294.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@]1(O)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2168.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@]1(O)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3425.2	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2237.9	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2096.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3505.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2327.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2192.8	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3339.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2289.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2132.1	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)NC(=O)N=C1N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3694.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #3	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2263.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #3	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2144.5	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #3	C[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C)[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3033.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #4	C[Si](C)(C)O[C@]1(C(=O)O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2272.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #4	C[Si](C)(C)O[C@]1(C(=O)O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2225.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #4	C[Si](C)(C)O[C@]1(C(=O)O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2996.5	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2273.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2198.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	3018.7	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2311.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2256.1	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=NC(=O)N1[Si](C)(C)C	2876.5	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(N)=O	2496.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(N)=O	2451.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O)C(=O)O	2543.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(N)=O)C1=NC(=O)N[C@@]1(O)C(=O)O	2486.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=O)N=C(NC(N)=O)[C@]1(O)C(=O)O	2538.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1NC(N)=O	2646.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O	2780.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(N)=O)C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O	2656.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O	2757.9	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C(C)(C)C	2737.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C(C)(C)C	2662.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C	2710.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C(C)(C)C	2710.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C(C)(C)C	2614.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(=O)NC1=NC(=O)N[C@@]1(O)C(=O)O)[Si](C)(C)C(C)(C)C	2723.9	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O)[Si](C)(C)C(C)(C)C	2721.9	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2890.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2517.9	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4354.4	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C	2890.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C	2628.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C	3597.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2757.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2529.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3531.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC(=O)N[C@@]1(O)C(=O)O	2883.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC(=O)N[C@@]1(O)C(=O)O	2647.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC(=O)N[C@@]1(O)C(=O)O	3794.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N1C(=O)N=C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@]1(O)C(=O)O	2905.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N1C(=O)N=C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@]1(O)C(=O)O	2691.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N1C(=O)N=C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@]1(O)C(=O)O	3622.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O)[Si](C)(C)C(C)(C)C	2837.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O)[Si](C)(C)C(C)(C)C	2596.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O)[Si](C)(C)C(C)(C)C	3443.2	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C(C)(C)C	2878.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C(C)(C)C	2603.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(NC(N)=O)=NC(=O)N1[Si](C)(C)C(C)(C)C	3736.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C(C)(C)C	2777.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C(C)(C)C	2453.6	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1N(C(N)=O)[Si](C)(C)C(C)(C)C	3967.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2923.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2629.8	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4296.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2892.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2560.5	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4001.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O	2930.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O	2603.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O	3592.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2776.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2556.6	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3502.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2845.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2632.1	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4005.5	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2839.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2536.1	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3735.9	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3049.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2772.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4241.2	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2976.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2778.2	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3354.0	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O	3017.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O	2877.3	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O)C(=O)O	3388.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3026.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2703.8	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3888.2	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3062.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2783.5	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)NC1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3552.9	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2920.4	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2741.9	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3510.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3082.9	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2852.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3493.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3066.2	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2818.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3831.3	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2997.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2796.6	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3322.7	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3031.5	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	2863.1	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3524.6	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3018.7	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2796.7	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3612.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3226.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3047.9	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3487.2	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3215.0	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2989.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)NC(=O)N=C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3757.8	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3153.3	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2992.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)N(C1=NC(=O)N([Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3288.1	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3218.8	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3088.4	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@]1(C(=O)O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3235.4	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3172.1	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3068.0	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3292.7	Standard polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3367.6	Semi standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3278.2	Standard non polar	33892256
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)N1[Si](C)(C)C(C)(C)C	3203.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 10V, Positive-QTOF	splash10-0udi-0290000000-6aef2ea3d16e64f66e0a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 20V, Positive-QTOF	splash10-0gw3-0920000000-77d0905884a3fca8fd7d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 40V, Positive-QTOF	splash10-0006-9000000000-11c7af77cb066557a541	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 10V, Negative-QTOF	splash10-0udi-0690000000-81226e034d27b996a665	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 20V, Negative-QTOF	splash10-03dl-3900000000-6c8214de7999a22c4230	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 40V, Negative-QTOF	splash10-0006-9100000000-04fd0d084ea29b98bee7	2021-09-23	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101957722

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase

General function:: Not Available
Specific function:: Catalyzes the stereoselective decarboxylation of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline (OHCU) to (S)-allantoin (Potential).
Gene Name:: PRHOXNB
Uniprot ID:: A6NGE7
Molecular weight:: 19129.52

Reactions

2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline → Allantoin + CO(2)	details

Showing metabocard for 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline (HMDB0059663)

MOL for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

3D MOL for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

3D SDF for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

3D-SDF for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

PDB for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

3D PDB for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

SMILES for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

INCHI for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

Structure for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

3D Structure for HMDB0059663 (2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

IR Spectra

Enzymes

Reactions