Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-12-19 14:38:21 UTC
Update Date2021-09-14 15:44:55 UTC
HMDB IDHMDB0005765
Secondary Accession Numbers
  • HMDB05765
Metabolite Identification
Common NameOphthalmic acid
DescriptionOphthalmic acid, also known as ophthalmate, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Ophthalmic acid is a very strong basic compound (based on its pKa). Ophthalmic acid is an L-glutamine derivative in which L-glutamine is substituted by a 1--1-oxobutan-2-yl at the terminal amino nitrogen atom. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens.
Structure
Data?1582752363
Synonyms
ValueSource
OphthalmateGenerator
gamma-Glu-alpha-aminobutyryl-glyHMDB, MeSH
L-gamma-Glutamyl-L-alpha-aminobutyrylglycineHMDB
L-gamma-Glutamyl-(2S)-2-aminobutanoylglycineHMDB
L-γ-Glutamyl-(2S)-2-aminobutanoylglycineHMDB
Ophthalmic acidHMDB
gamma-Glutamyl-alpha-amino-n-butyrylglycineHMDB
γ-Glutamyl-α-amino-n-butyrylglycineHMDB
Chemical FormulaC11H19N3O6
Average Molecular Weight289.2851
Monoisotopic Molecular Weight289.127385355
IUPAC Name(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}butanoic acid
Traditional Nameophthalmic acid
CAS Registry Number495-27-2
SMILES
CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
InChI Identifier
InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChI KeyJCMUOFQHZLPHQP-BQBZGAKWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Amine
  • Organic oxide
  • Primary aliphatic amine
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker163.730932474
[M+H]+Baker167.23330932474
[M-H]-Not Available161.8http://allccs.zhulab.cn/database/detail?ID=AllCCS00001774
[M+H]+Not Available165.5http://allccs.zhulab.cn/database/detail?ID=AllCCS00001774
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.62 g/LALOGPS
logP-3.1ALOGPS
logP-4.4ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)2.04ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area158.82 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.91 m³·mol⁻¹ChemAxon
Polarizability28.1 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+167.77731661259
DarkChem[M-H]-163.06831661259
DeepCCS[M+H]+168.64630932474
DeepCCS[M-H]-166.28830932474
DeepCCS[M-2H]-199.17430932474
DeepCCS[M+Na]+174.73930932474
AllCCS[M+H]+165.532859911
AllCCS[M+H-H2O]+162.732859911
AllCCS[M+NH4]+168.232859911
AllCCS[M+Na]+169.032859911
AllCCS[M-H]-165.532859911
AllCCS[M+Na-2H]-165.932859911
AllCCS[M+HCOO]-166.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ophthalmic acidCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O3674.7Standard polar33892256
Ophthalmic acidCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O2298.1Standard non polar33892256
Ophthalmic acidCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O2848.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ophthalmic acid,1TMS,isomer #1CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O2538.7Semi standard non polar33892256
Ophthalmic acid,1TMS,isomer #2CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C2577.6Semi standard non polar33892256
Ophthalmic acid,1TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O2605.8Semi standard non polar33892256
Ophthalmic acid,1TMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2547.9Semi standard non polar33892256
Ophthalmic acid,1TMS,isomer #5CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C2576.9Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #1CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2557.2Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C2631.7Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2500.7Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #2CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O2610.5Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #3CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2503.3Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #4CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2544.9Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #5CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C2627.2Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #6CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2515.8Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #7CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2562.5Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #8CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2589.3Semi standard non polar33892256
Ophthalmic acid,2TMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O2714.1Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #1CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2617.8Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #1CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2571.3Standard non polar33892256
Ophthalmic acid,3TMS,isomer #1CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3629.8Standard polar33892256
Ophthalmic acid,3TMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2602.4Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2594.4Standard non polar33892256
Ophthalmic acid,3TMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3633.3Standard polar33892256
Ophthalmic acid,3TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2509.3Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2574.7Standard non polar33892256
Ophthalmic acid,3TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C4168.6Standard polar33892256
Ophthalmic acid,3TMS,isomer #12CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2562.6Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #12CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2599.5Standard non polar33892256
Ophthalmic acid,3TMS,isomer #12CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3625.5Standard polar33892256
Ophthalmic acid,3TMS,isomer #13CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2665.0Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #13CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2637.0Standard non polar33892256
Ophthalmic acid,3TMS,isomer #13CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3750.1Standard polar33892256
Ophthalmic acid,3TMS,isomer #14CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2706.2Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #14CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2662.4Standard non polar33892256
Ophthalmic acid,3TMS,isomer #14CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3631.1Standard polar33892256
Ophthalmic acid,3TMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2501.1Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2537.8Standard non polar33892256
Ophthalmic acid,3TMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4042.1Standard polar33892256
Ophthalmic acid,3TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2525.3Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2542.5Standard non polar33892256
Ophthalmic acid,3TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C4007.8Standard polar33892256
Ophthalmic acid,3TMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2551.5Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2560.0Standard non polar33892256
Ophthalmic acid,3TMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3610.5Standard polar33892256
Ophthalmic acid,3TMS,isomer #5CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O2713.2Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #5CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O2581.3Standard non polar33892256
Ophthalmic acid,3TMS,isomer #5CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3697.0Standard polar33892256
Ophthalmic acid,3TMS,isomer #6CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2601.7Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #6CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2581.9Standard non polar33892256
Ophthalmic acid,3TMS,isomer #6CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3509.8Standard polar33892256
Ophthalmic acid,3TMS,isomer #7CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2515.2Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #7CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2542.6Standard non polar33892256
Ophthalmic acid,3TMS,isomer #7CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3929.9Standard polar33892256
Ophthalmic acid,3TMS,isomer #8CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2560.4Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #8CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2591.5Standard non polar33892256
Ophthalmic acid,3TMS,isomer #8CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3676.1Standard polar33892256
Ophthalmic acid,3TMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2733.0Semi standard non polar33892256
Ophthalmic acid,3TMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2644.7Standard non polar33892256
Ophthalmic acid,3TMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3723.1Standard polar33892256
Ophthalmic acid,4TMS,isomer #1CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2549.1Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #1CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2619.0Standard non polar33892256
Ophthalmic acid,4TMS,isomer #1CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3188.5Standard polar33892256
Ophthalmic acid,4TMS,isomer #10CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2721.3Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #10CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2699.6Standard non polar33892256
Ophthalmic acid,4TMS,isomer #10CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3336.8Standard polar33892256
Ophthalmic acid,4TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2705.1Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2721.4Standard non polar33892256
Ophthalmic acid,4TMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3361.8Standard polar33892256
Ophthalmic acid,4TMS,isomer #2CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2730.0Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #2CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C2647.8Standard non polar33892256
Ophthalmic acid,4TMS,isomer #2CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3347.7Standard polar33892256
Ophthalmic acid,4TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2570.8Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2620.6Standard non polar33892256
Ophthalmic acid,4TMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3198.3Standard polar33892256
Ophthalmic acid,4TMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2506.1Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2585.5Standard non polar33892256
Ophthalmic acid,4TMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3741.7Standard polar33892256
Ophthalmic acid,4TMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2551.2Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2637.3Standard non polar33892256
Ophthalmic acid,4TMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3185.6Standard polar33892256
Ophthalmic acid,4TMS,isomer #6CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2686.8Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #6CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2654.1Standard non polar33892256
Ophthalmic acid,4TMS,isomer #6CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3343.1Standard polar33892256
Ophthalmic acid,4TMS,isomer #7CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2727.2Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #7CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C2668.5Standard non polar33892256
Ophthalmic acid,4TMS,isomer #7CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3283.6Standard polar33892256
Ophthalmic acid,4TMS,isomer #8CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2553.8Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #8CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2641.0Standard non polar33892256
Ophthalmic acid,4TMS,isomer #8CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3288.5Standard polar33892256
Ophthalmic acid,4TMS,isomer #9CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2667.1Semi standard non polar33892256
Ophthalmic acid,4TMS,isomer #9CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2698.6Standard non polar33892256
Ophthalmic acid,4TMS,isomer #9CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3349.5Standard polar33892256
Ophthalmic acid,5TMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2548.9Semi standard non polar33892256
Ophthalmic acid,5TMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2677.3Standard non polar33892256
Ophthalmic acid,5TMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2893.8Standard polar33892256
Ophthalmic acid,5TMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2704.3Semi standard non polar33892256
Ophthalmic acid,5TMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2703.6Standard non polar33892256
Ophthalmic acid,5TMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3006.2Standard polar33892256
Ophthalmic acid,5TMS,isomer #3CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2699.7Semi standard non polar33892256
Ophthalmic acid,5TMS,isomer #3CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2702.6Standard non polar33892256
Ophthalmic acid,5TMS,isomer #3CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3013.4Standard polar33892256
Ophthalmic acid,5TMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2721.1Semi standard non polar33892256
Ophthalmic acid,5TMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2734.0Standard non polar33892256
Ophthalmic acid,5TMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3006.9Standard polar33892256
Ophthalmic acid,5TMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2706.1Semi standard non polar33892256
Ophthalmic acid,5TMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2754.6Standard non polar33892256
Ophthalmic acid,5TMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3048.3Standard polar33892256
Ophthalmic acid,6TMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2739.6Semi standard non polar33892256
Ophthalmic acid,6TMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2771.7Standard non polar33892256
Ophthalmic acid,6TMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2816.7Standard polar33892256
Ophthalmic acid,1TBDMS,isomer #1CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O2791.0Semi standard non polar33892256
Ophthalmic acid,1TBDMS,isomer #2CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C2834.2Semi standard non polar33892256
Ophthalmic acid,1TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O2856.4Semi standard non polar33892256
Ophthalmic acid,1TBDMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2799.0Semi standard non polar33892256
Ophthalmic acid,1TBDMS,isomer #5CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C2830.6Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #1CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3028.5Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3072.5Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2987.1Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #2CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3054.2Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #3CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3002.5Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #4CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3012.9Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #5CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3093.3Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #6CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C3019.8Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #7CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3031.4Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #8CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3073.7Semi standard non polar33892256
Ophthalmic acid,2TBDMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3173.4Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #1CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3279.4Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #1CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3079.2Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #1CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3625.4Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3291.2Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3101.7Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #10CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3653.1Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C3204.7Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C3092.9Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C4039.1Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #12CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3258.2Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #12CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3077.2Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #12CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3664.9Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #13CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3387.0Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #13CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3105.4Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #13CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3702.5Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #14CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3379.8Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #14CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3129.6Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #14CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3661.4Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3226.6Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3059.8Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3932.8Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3246.5Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3082.2Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3929.5Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3272.1Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3053.4Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #4CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3622.6Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #5CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3401.9Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #5CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3090.8Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #5CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3679.7Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #6CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3269.5Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #6CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3076.7Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #6CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3589.5Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #7CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3188.5Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #7CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3055.1Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #7CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3894.6Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #8CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3290.4Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #8CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3077.8Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #8CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3658.4Standard polar33892256
Ophthalmic acid,3TBDMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3413.7Semi standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3120.6Standard non polar33892256
Ophthalmic acid,3TBDMS,isomer #9CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3687.9Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #1CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3460.2Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #1CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3239.6Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #1CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3450.2Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #10CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3619.2Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #10CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3315.1Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #10CC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3515.6Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3590.2Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3308.9Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #11CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3538.4Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #2CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3626.7Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #2CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3280.0Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #2CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3518.3Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3464.4Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3259.6Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #3CC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3466.0Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3408.7Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3254.1Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3777.9Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3428.7Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3251.9Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3465.4Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #6CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3627.8Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #6CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3276.8Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #6CC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3510.8Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #7CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3617.5Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #7CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3294.0Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #7CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3493.3Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #8CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3461.7Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #8CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3267.5Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #8CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3519.6Standard polar33892256
Ophthalmic acid,4TBDMS,isomer #9CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3633.4Semi standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #9CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3291.8Standard non polar33892256
Ophthalmic acid,4TBDMS,isomer #9CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3510.1Standard polar33892256
Ophthalmic acid,5TBDMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3629.5Semi standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3434.2Standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #1CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3369.0Standard polar33892256
Ophthalmic acid,5TBDMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3843.6Semi standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3454.1Standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #2CC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3377.6Standard polar33892256
Ophthalmic acid,5TBDMS,isomer #3CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3830.1Semi standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #3CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3470.9Standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #3CC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3385.3Standard polar33892256
Ophthalmic acid,5TBDMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3802.5Semi standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3481.7Standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #4CC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3394.4Standard polar33892256
Ophthalmic acid,5TBDMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3813.3Semi standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3494.4Standard non polar33892256
Ophthalmic acid,5TBDMS,isomer #5CC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3410.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ophthalmic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0f6x-6940000000-c070255ba387c0b1a2842017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ophthalmic acid GC-MS (2 TMS) - 70eV, Positivesplash10-0fdo-9833300000-569e69ee51aa925526552017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ophthalmic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ophthalmic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 20V, Positive-QTOFsplash10-0a4i-9100000000-7b0dbea0ec0c172b05112021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 40V, Positive-QTOFsplash10-0a4i-9000000000-802d0c17dd27c95f03a62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 40V, Positive-QTOFsplash10-0a4i-9000000000-22412de84627f5ca2d082021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-08fr-6960000000-b76928ba46c809f098c92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 40V, Positive-QTOFsplash10-0a4i-9000000000-0468bbd04144ed6f180a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-0900-7890000000-a0d62a69fd25f6cbe5fc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 30V, Positive-QTOFsplash10-0a4i-9000000000-e865ae128a2f157fe92f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 20V, Positive-QTOFsplash10-0a4i-9100000000-da8a2c8512cb7619998b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 20V, Positive-QTOFsplash10-0a4i-9000000000-6e1ae7c797d2334acad12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-0a4i-9210000000-7c2f3c9ba05eb73ac1b92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 40V, Positive-QTOFsplash10-0a4i-9000000000-5c182d29a63b9615d35a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 0V, Positive-QTOFsplash10-0006-1093000000-fe774d19d126f3e2ea632021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-03di-5978000000-a535356ee08254afcd732021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 0V, Positive-QTOFsplash10-0006-0093000000-26a38884a73212fe414c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-08fr-9856000000-2008c9457e5ed822973e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 30V, Positive-QTOFsplash10-0a4i-9000000000-50540a27395e10bb4ced2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 30V, Positive-QTOFsplash10-0a4i-9001000000-0809564d0c26440ffc592021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-0bt9-9850000000-7ee7cde874756fcfd7e32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ophthalmic acid 40V, Negative-QTOFsplash10-0159-9600000000-32c8f5ed5c6d7b2228512021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ophthalmic acid 10V, Positive-QTOFsplash10-006x-1390000000-7f7a404147eb5f5250e12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ophthalmic acid 20V, Positive-QTOFsplash10-054o-8950000000-59ab34e928ba88fbebf22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ophthalmic acid 40V, Positive-QTOFsplash10-0a4i-9400000000-bc601e4f42c6ce7608952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ophthalmic acid 10V, Negative-QTOFsplash10-000i-0190000000-eb18c847f5b8737749942017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ophthalmic acid 20V, Negative-QTOFsplash10-05g0-3790000000-15bb41c0361a262858232017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ophthalmic acid 40V, Negative-QTOFsplash10-05fv-9400000000-c6fbf4203e4cd64934392017-09-01Wishart 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 LocationsNot Available
Biospecimen LocationsNot Available
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023755
KNApSAcK IDNot Available
Chemspider ID5381695
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOphthalmic_acid
METLIN IDNot Available
PubChem Compound7018721
PDB IDNot Available
ChEBI ID84058
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Carretero A, Leon Z, Garcia-Canaveras JC, Zaragoza A, Gomez-Lechon MJ, Donato MT, Lahoz A: In vitro/in vivo screening of oxidative homeostasis and damage to DNA, protein, and lipids using UPLC/MS-MS. Anal Bioanal Chem. 2014 Sep;406(22):5465-76. doi: 10.1007/s00216-014-7983-5. Epub 2014 Jun 27. [PubMed:24969468 ]
  2. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]