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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:39:00 UTC
HMDB IDHMDB0000218
Secondary Accession Numbers
  • HMDB00218
Metabolite Identification
Common NameOrotidylic acid
DescriptionOrotidylic acid, also known as orotidylate, belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety. Orotidylic acid exists in all living species, ranging from bacteria to plants to humans. In humans, orotidylic acid is involved in the metabolic disorder called the dimethylglycine dehydrogenase deficiency pathway. Orotidylic acid has been detected, but not quantified in, several different foods, such as horned melons (Cucumis metuliferus), cottonseeds (Gossypium), allia (Allium), burbots (Lota lota), and sunburst squash (pattypan squash). This could make orotidylic acid a potential biomarker for the consumption of these foods. Orotidylic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Orotidylic acid.
Structure
Data?1589309216
Synonyms
ValueSource
6-Carboxy-5'-uridylic acidChEBI
Orotidine 5'-(dihydrogen phosphate)ChEBI
6-Carboxy-5'-uridylateGenerator
Orotidine 5'-(dihydrogen phosphoric acid)Generator
OrotidylateGenerator
1,2,3,6-tetrahydro-2,6-dioxo-3-(5-O-phosphono-b-D-Ribofuranosyl)-4-pyrimidinecarboxylateHMDB
1,2,3,6-tetrahydro-2,6-dioxo-3-(5-O-phosphono-b-D-Ribofuranosyl)-4-pyrimidinecarboxylic acidHMDB
1,2,3,6-tetrahydro-2,6-dioxo-3-(5-O-phosphono-beta-delta-Ribofuranosyl)-4-pyrimidinecarboxylateHMDB
1,2,3,6-tetrahydro-2,6-dioxo-3-(5-O-phosphono-beta-delta-Ribofuranosyl)-4-pyrimidinecarboxylic acidHMDB
2,6-dioxo-3-(5-O-phosphono-beta-D-Ribofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidHMDB
2,6-dioxo-3-(5-O-phosphono-beta-delta-Ribofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidHMDB
5'-(Dihydrogen phosphate) 6-carboxy-uridineHMDB
5'-(Dihydrogen phosphate) orotidineHMDB
5'-OMPHMDB
5'-Phosphate orotidineHMDB
5-(Dihydrogen phosphate)orotidineHMDB, MeSH
OmetoprimHMDB
OMPHMDB
OMP (nucleotide)HMDB
Orotidine 5'-monophosphateHMDB, MeSH
Orotidine 5'-phosphateHMDB
Orotidine monophosphateHMDB
Orotidine-5'-phosphateHMDB
1,2,3,6-Tetrahydro-2,6-dioxo-3-(5-O-phosphono-beta-D-ribofuranosyl)-4-pyrimidinecarboxylic acidHMDB
1,2,3,6-Tetrahydro-2,6-dioxo-3-(5-O-phosphono-β-D-ribofuranosyl)-4-pyrimidinecarboxylic acidHMDB
5’-OMPHMDB
Orotidine 5’-monophosphateHMDB
Orotidylic acidHMDB
Chemical FormulaC10H13N2O11P
Average Molecular Weight368.1908
Monoisotopic Molecular Weight368.02569578
IUPAC Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Traditional Name6-carboxy-5'-uridylic acid
CAS Registry Number2149-82-8
SMILES
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O
InChI Identifier
InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
InChI KeyKYOBSHFOBAOFBF-XVFCMESISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine ribonucleotides
Direct ParentPyrimidine ribonucleoside monophosphates
Alternative Parents
Substituents
  • Pyrimidine ribonucleoside monophosphate
  • Pentose-5-phosphate
  • Pentose phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Pyrimidine-6-carboxylic acid or derivatives
  • Pyrimidine-6-carboxylic acid
  • Hydropyrimidine carboxylic acid derivative
  • Monoalkyl phosphate
  • Pyrimidone
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Pyrimidine
  • Alkyl phosphate
  • Phosphoric acid ester
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Urea
  • Lactam
  • 1,2-diol
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility8.61 g/LALOGPS
logP-1.7ALOGPS
logP-2.9ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)1.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area203.16 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity70.74 m³·mol⁻¹ChemAxon
Polarizability29.65 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+180.18131661259
DarkChem[M-H]-172.63631661259
AllCCS[M+H]+176.3232859911
AllCCS[M-H]-170.50432859911
DeepCCS[M+H]+172.60230932474
DeepCCS[M-H]-170.20630932474
DeepCCS[M-2H]-203.60630932474
DeepCCS[M+Na]+178.54330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Orotidylic acidO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O4128.1Standard polar33892256
Orotidylic acidO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O2239.2Standard non polar33892256
Orotidylic acidO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O3408.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Orotidylic acid,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O2871.0Semi standard non polar33892256
Orotidylic acid,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C(C(=O)O)=CC(=O)[NH]C1=O2845.8Semi standard non polar33892256
Orotidylic acid,1TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O2780.0Semi standard non polar33892256
Orotidylic acid,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O3026.4Semi standard non polar33892256
Orotidylic acid,1TMS,isomer #5C[Si](C)(C)N1C(=O)C=C(C(=O)O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O3003.9Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O2718.0Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3019.6Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O3069.4Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C2797.1Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O2966.9Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O2931.9Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C2697.4Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)[NH]C1=O2955.0Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C)C1=O2912.8Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O2891.6Semi standard non polar33892256
Orotidylic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O2849.6Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2698.0Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)[NH]C1=O2952.7Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C)C1=O2987.6Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O2925.7Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #13C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O2924.5Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #14C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3033.4Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2861.1Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O2810.7Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C2911.3Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C2892.3Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O2964.3Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O2995.8Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2841.5Semi standard non polar33892256
Orotidylic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C2794.8Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2815.5Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3100.9Standard non polar33892256
Orotidylic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3859.7Standard polar33892256
Orotidylic acid,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C)C1=O3014.4Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C)C1=O3169.6Standard non polar33892256
Orotidylic acid,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C)C1=O3753.4Standard polar33892256
Orotidylic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O2961.2Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3121.7Standard non polar33892256
Orotidylic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3808.8Standard polar33892256
Orotidylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2798.7Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3171.4Standard non polar33892256
Orotidylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4199.0Standard polar33892256
Orotidylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2911.9Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3104.7Standard non polar33892256
Orotidylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3646.4Standard polar33892256
Orotidylic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2932.1Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3115.7Standard non polar33892256
Orotidylic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3951.5Standard polar33892256
Orotidylic acid,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C2924.5Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C3119.8Standard non polar33892256
Orotidylic acid,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C3632.2Standard polar33892256
Orotidylic acid,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C2982.0Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C3161.7Standard non polar33892256
Orotidylic acid,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C3959.7Standard polar33892256
Orotidylic acid,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O3025.9Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O3164.5Standard non polar33892256
Orotidylic acid,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O3723.2Standard polar33892256
Orotidylic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2881.5Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3107.7Standard non polar33892256
Orotidylic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3674.1Standard polar33892256
Orotidylic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2912.4Semi standard non polar33892256
Orotidylic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3118.8Standard non polar33892256
Orotidylic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3970.5Standard polar33892256
Orotidylic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2869.4Semi standard non polar33892256
Orotidylic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3069.5Standard non polar33892256
Orotidylic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3474.3Standard polar33892256
Orotidylic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2934.0Semi standard non polar33892256
Orotidylic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3102.6Standard non polar33892256
Orotidylic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3693.1Standard polar33892256
Orotidylic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3011.9Semi standard non polar33892256
Orotidylic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3090.9Standard non polar33892256
Orotidylic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3522.2Standard polar33892256
Orotidylic acid,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C3024.0Semi standard non polar33892256
Orotidylic acid,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C3134.9Standard non polar33892256
Orotidylic acid,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C3524.9Standard polar33892256
Orotidylic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2992.1Semi standard non polar33892256
Orotidylic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3094.2Standard non polar33892256
Orotidylic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3551.2Standard polar33892256
Orotidylic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3013.5Semi standard non polar33892256
Orotidylic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3064.8Standard non polar33892256
Orotidylic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3380.8Standard polar33892256
Orotidylic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O3103.2Semi standard non polar33892256
Orotidylic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C(C(=O)O)=CC(=O)[NH]C1=O3078.8Semi standard non polar33892256
Orotidylic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3056.7Semi standard non polar33892256
Orotidylic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O3244.0Semi standard non polar33892256
Orotidylic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(=O)C=C(C(=O)O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O3195.7Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3180.7Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3443.7Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O3470.9Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3221.5Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O3382.1Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O3363.0Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3158.5Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)[NH]C1=O3372.1Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C1=O3344.0Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3357.5Semi standard non polar33892256
Orotidylic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3322.2Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3376.5Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)[NH]C1=O3595.7Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C1=O3633.1Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3591.0Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3606.5Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3680.1Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3532.0Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3505.1Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3523.6Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3537.8Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O3593.5Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O3638.0Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3528.0Semi standard non polar33892256
Orotidylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3492.0Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3745.0Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3801.6Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4050.6Standard polar33892256
Orotidylic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C1=O3885.8Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C1=O3861.7Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C1=O3991.3Standard polar33892256
Orotidylic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3844.4Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3802.2Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4020.9Standard polar33892256
Orotidylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3728.4Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3899.6Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4254.9Standard polar33892256
Orotidylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3790.7Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3762.1Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3913.7Standard polar33892256
Orotidylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3834.1Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3851.6Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4093.0Standard polar33892256
Orotidylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3768.1Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3784.6Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3901.4Standard polar33892256
Orotidylic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3831.2Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C3894.6Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4104.3Standard polar33892256
Orotidylic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O3888.8Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O3857.9Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C(C(=O)O)=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O3961.7Standard polar33892256
Orotidylic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3781.6Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3763.2Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)[NH]C(=O)N1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3942.1Standard polar33892256
Orotidylic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3828.3Semi standard non polar33892256
Orotidylic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3850.6Standard non polar33892256
Orotidylic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4108.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9512000000-a3f8062edabfeda1eaa82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (3 TMS) - 70eV, Positivesplash10-0002-9221230000-0c722324f49458fdfb652017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orotidylic acid GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 10V, Positive-QTOFsplash10-0a4i-0914000000-3337770bad1b3ba8486c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 20V, Positive-QTOFsplash10-0a4i-1911000000-f94acf2aa5da3364c5172015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 40V, Positive-QTOFsplash10-0a4l-5900000000-81a1aba75871162fc05b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 10V, Negative-QTOFsplash10-0axv-8917000000-d1de3bc4514e88dd288c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 20V, Negative-QTOFsplash10-056r-9701000000-13540f203bff602cb8f52015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 40V, Negative-QTOFsplash10-004i-9200000000-2bf7c464e9b79ae5c6a92015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 10V, Negative-QTOFsplash10-014i-2009000000-9ea216a0949682e0fe1f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 20V, Negative-QTOFsplash10-004i-9101000000-fef21032aec9be94593f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 40V, Negative-QTOFsplash10-004i-9200000000-8b5f1e6eeb57e5800b692021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 10V, Positive-QTOFsplash10-01b9-0977000000-d51bb310da0232d1c1bb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 20V, Positive-QTOFsplash10-0cdi-0930000000-504b86c3d067b5715b142021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orotidylic acid 40V, Positive-QTOFsplash10-05mk-4900000000-c8b6c09c13fc530cdcc42021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Prostate Tissue
Tissue Locations
  • Prostate
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Prostate TissueDetected and Quantified0.5 (0.0-1.0) umol/g tissueAdult (>18 years old)Both
Prostate Cancer
details
Associated Disorders and Diseases
Disease References
Prostate cancer
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Associated OMIM IDs
DrugBank IDDB02957
Phenol Explorer Compound IDNot Available
FooDB IDFDB031073
KNApSAcK IDNot Available
Chemspider ID141140
KEGG Compound IDC01103
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOrotidine 5'-monophosphate
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID15842
Food Biomarker OntologyNot Available
VMH IDOROT5P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceUeda, Tohru; Yamamoto, Miyako; Yamane, Akira; Imazawa, Masaoki; Inoue, Hideo. Nucleosides and nucleotides. XXIII. Conversion of uridine nucleotides to the 6-cyano derivatives: synthesis of orotidylic acid. Journal of Carbohydrates, Nucleosides, Nucleotides (1978), 5(3), 261-71.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Traut TW: Uridine-5'-phosphate synthase: evidence for substrate cycling involving this bifunctional protein. Arch Biochem Biophys. 1989 Jan;268(1):108-15. [PubMed:2912371 ]

Enzymes

General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
UMPS
Uniprot ID:
P11172
Molecular weight:
52221.075
Reactions
Orotidylic acid + Pyrophosphate → Orotic acid + Phosphoribosyl pyrophosphatedetails
Orotidylic acid → Uridine 5'-monophosphate + CO(2)details
Orotidylic acid → Uridine 5'-monophosphate + Carbon dioxidedetails