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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:23:22 UTC
Update Date2022-03-07 03:17:45 UTC
HMDB IDHMDB0060473
Secondary Accession Numbers
  • HMDB60473
Metabolite Identification
Common NameDiphthamide
DescriptionDiphthamide is a modified histidine amino acid found in eukaryotic elongation factor 2 (eEF-2). It is usually found at position H715 in mammalian eEF2 (H699 in yeast). This residue is modified by the protein encoded by the OVCA1 gene (homolog of DPH1 in mice). DPH1 knockout mice are inviable while heterozygotes develop diverse types of carcinomas and sarcomas. In humans, OVCA1 is frequently found mutated in ovarian cancer. (Wikipedia )
Structure
Data?1563866065
Synonyms
ValueSource
2-(3-Carboxyamido-3-(trimethylammonio)propyl)histidineHMDB
Chemical FormulaC13H24N5O3
Average Molecular Weight298.3614
Monoisotopic Molecular Weight298.187914659
IUPAC Name[(1R)-3-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-(C-hydroxycarbonimidoyl)propyl]trimethylazanium
Traditional Name[(1R)-3-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}-1-(C-hydroxycarbonimidoyl)propyl]trimethylazanium
CAS Registry NumberNot Available
SMILES
C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=N
InChI Identifier
InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1
InChI KeyFOOBQHKMWYGHCE-VHSXEESVSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentHistidine and derivatives
Alternative Parents
Substituents
  • Histidine or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid
  • L-alpha-amino acid
  • Aralkylamine
  • Fatty amide
  • Fatty acyl
  • Tetraalkylammonium salt
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Quaternary ammonium salt
  • Amino acid
  • Carboxamide group
  • Primary carboxylic acid amide
  • Azacycle
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Primary amine
  • Organic salt
  • Organic cation
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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 Solubility0.067 g/LALOGPS
logP-1.7ALOGPS
logP-7.6ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)9.43ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.08 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity99.89 m³·mol⁻¹ChemAxon
Polarizability32.14 ųChemAxon
Number of Rings1ChemAxon
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]+170.73531661259
DarkChem[M-H]-169.30131661259
DeepCCS[M+H]+164.65830932474
DeepCCS[M-H]-162.330932474
DeepCCS[M-2H]-195.87830932474
DeepCCS[M+Na]+171.06330932474
AllCCS[M+H]+169.132859911
AllCCS[M+H-H2O]+166.432859911
AllCCS[M+NH4]+171.732859911
AllCCS[M+Na]+172.432859911
AllCCS[M-H]-177.332859911
AllCCS[M+Na-2H]-178.032859911
AllCCS[M+HCOO]-178.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DiphthamideC[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=N3313.6Standard polar33892256
DiphthamideC[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=N2378.0Standard non polar33892256
DiphthamideC[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=N2909.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Diphthamide,1TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=N)O2742.0Semi standard non polar33892256
Diphthamide,1TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=N)O[Si](C)(C)C2808.9Semi standard non polar33892256
Diphthamide,1TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=N)O2848.8Semi standard non polar33892256
Diphthamide,1TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=N)O2805.7Semi standard non polar33892256
Diphthamide,1TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(O)=N[Si](C)(C)C2747.3Semi standard non polar33892256
Diphthamide,2TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2714.2Semi standard non polar33892256
Diphthamide,2TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(O)=N[Si](C)(C)C2796.9Semi standard non polar33892256
Diphthamide,2TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2726.4Semi standard non polar33892256
Diphthamide,2TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N)O2767.8Semi standard non polar33892256
Diphthamide,2TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2728.5Semi standard non polar33892256
Diphthamide,2TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2717.4Semi standard non polar33892256
Diphthamide,2TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=N)O[Si](C)(C)C2824.6Semi standard non polar33892256
Diphthamide,2TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2779.0Semi standard non polar33892256
Diphthamide,2TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2718.0Semi standard non polar33892256
Diphthamide,2TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O2918.1Semi standard non polar33892256
Diphthamide,2TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N)O2810.4Semi standard non polar33892256
Diphthamide,3TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2724.0Semi standard non polar33892256
Diphthamide,3TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2589.4Standard non polar33892256
Diphthamide,3TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C3715.5Standard polar33892256
Diphthamide,3TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2731.8Semi standard non polar33892256
Diphthamide,3TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2557.8Standard non polar33892256
Diphthamide,3TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C3527.9Standard polar33892256
Diphthamide,3TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2698.5Semi standard non polar33892256
Diphthamide,3TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2547.6Standard non polar33892256
Diphthamide,3TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C3835.5Standard polar33892256
Diphthamide,3TMS,isomer #12C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2912.4Semi standard non polar33892256
Diphthamide,3TMS,isomer #12C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2740.1Standard non polar33892256
Diphthamide,3TMS,isomer #12C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O3804.3Standard polar33892256
Diphthamide,3TMS,isomer #13C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2868.4Semi standard non polar33892256
Diphthamide,3TMS,isomer #13C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2687.6Standard non polar33892256
Diphthamide,3TMS,isomer #13C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C3718.0Standard polar33892256
Diphthamide,3TMS,isomer #14C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2772.3Semi standard non polar33892256
Diphthamide,3TMS,isomer #14C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2632.9Standard non polar33892256
Diphthamide,3TMS,isomer #14C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C3680.0Standard polar33892256
Diphthamide,3TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2724.1Semi standard non polar33892256
Diphthamide,3TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2619.8Standard non polar33892256
Diphthamide,3TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C3935.2Standard polar33892256
Diphthamide,3TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2646.0Semi standard non polar33892256
Diphthamide,3TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2494.9Standard non polar33892256
Diphthamide,3TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C3680.0Standard polar33892256
Diphthamide,3TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O2857.1Semi standard non polar33892256
Diphthamide,3TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O2696.3Standard non polar33892256
Diphthamide,3TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O3729.3Standard polar33892256
Diphthamide,3TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2744.5Semi standard non polar33892256
Diphthamide,3TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2677.7Standard non polar33892256
Diphthamide,3TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O3662.0Standard polar33892256
Diphthamide,3TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2741.3Semi standard non polar33892256
Diphthamide,3TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2575.3Standard non polar33892256
Diphthamide,3TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C3589.8Standard polar33892256
Diphthamide,3TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2696.8Semi standard non polar33892256
Diphthamide,3TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2598.5Standard non polar33892256
Diphthamide,3TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C3798.5Standard polar33892256
Diphthamide,3TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2861.5Semi standard non polar33892256
Diphthamide,3TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2686.0Standard non polar33892256
Diphthamide,3TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C3856.3Standard polar33892256
Diphthamide,3TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2795.4Semi standard non polar33892256
Diphthamide,3TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2648.5Standard non polar33892256
Diphthamide,3TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C3813.1Standard polar33892256
Diphthamide,4TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2838.4Semi standard non polar33892256
Diphthamide,4TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C2704.8Standard non polar33892256
Diphthamide,4TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N)O[Si](C)(C)C3518.4Standard polar33892256
Diphthamide,4TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2751.7Semi standard non polar33892256
Diphthamide,4TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2622.6Standard non polar33892256
Diphthamide,4TMS,isomer #10C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C3323.3Standard polar33892256
Diphthamide,4TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2891.7Semi standard non polar33892256
Diphthamide,4TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2755.1Standard non polar33892256
Diphthamide,4TMS,isomer #11C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C3540.5Standard polar33892256
Diphthamide,4TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2756.9Semi standard non polar33892256
Diphthamide,4TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2680.1Standard non polar33892256
Diphthamide,4TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C3474.8Standard polar33892256
Diphthamide,4TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2688.7Semi standard non polar33892256
Diphthamide,4TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2577.8Standard non polar33892256
Diphthamide,4TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C3212.1Standard polar33892256
Diphthamide,4TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2676.1Semi standard non polar33892256
Diphthamide,4TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2579.0Standard non polar33892256
Diphthamide,4TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C3504.8Standard polar33892256
Diphthamide,4TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2883.5Semi standard non polar33892256
Diphthamide,4TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O2800.4Standard non polar33892256
Diphthamide,4TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O3513.3Standard polar33892256
Diphthamide,4TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2839.5Semi standard non polar33892256
Diphthamide,4TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C2695.5Standard non polar33892256
Diphthamide,4TMS,isomer #6C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(O)=N[Si](C)(C)C3468.3Standard polar33892256
Diphthamide,4TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2744.3Semi standard non polar33892256
Diphthamide,4TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2649.9Standard non polar33892256
Diphthamide,4TMS,isomer #7C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C3417.3Standard polar33892256
Diphthamide,4TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2897.8Semi standard non polar33892256
Diphthamide,4TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2772.0Standard non polar33892256
Diphthamide,4TMS,isomer #8C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C3600.4Standard polar33892256
Diphthamide,4TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2814.4Semi standard non polar33892256
Diphthamide,4TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2670.0Standard non polar33892256
Diphthamide,4TMS,isomer #9C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C3349.7Standard polar33892256
Diphthamide,5TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2903.6Semi standard non polar33892256
Diphthamide,5TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C2796.0Standard non polar33892256
Diphthamide,5TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N)O[Si](C)(C)C3303.6Standard polar33892256
Diphthamide,5TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2842.2Semi standard non polar33892256
Diphthamide,5TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C2684.0Standard non polar33892256
Diphthamide,5TMS,isomer #2C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=N[Si](C)(C)C)O[Si](C)(C)C3068.4Standard polar33892256
Diphthamide,5TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2742.5Semi standard non polar33892256
Diphthamide,5TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2652.5Standard non polar33892256
Diphthamide,5TMS,isomer #3C[N+](C)(C)[C@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C3055.8Standard polar33892256
Diphthamide,5TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2893.4Semi standard non polar33892256
Diphthamide,5TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C2762.0Standard non polar33892256
Diphthamide,5TMS,isomer #4C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(O)=N[Si](C)(C)C3306.9Standard polar33892256
Diphthamide,5TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2889.6Semi standard non polar33892256
Diphthamide,5TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2737.2Standard non polar33892256
Diphthamide,5TMS,isomer #5C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C3181.5Standard polar33892256
Diphthamide,6TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2914.6Semi standard non polar33892256
Diphthamide,6TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2764.4Standard non polar33892256
Diphthamide,6TMS,isomer #1C[N+](C)(C)[C@H](CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C2969.8Standard polar33892256
Diphthamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]12983.2Semi standard non polar33892256
Diphthamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)[N+](C)(C)C3035.9Semi standard non polar33892256
Diphthamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]1)C(=O)O3065.2Semi standard non polar33892256
Diphthamide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CC[C@H](C(=N)O)[N+](C)(C)C3034.2Semi standard non polar33892256
Diphthamide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)[N+](C)(C)C3024.1Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3184.5Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3277.2Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3204.3Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3221.7Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3204.2Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C3192.0Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)[NH]1)C(=O)O3255.6Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)[N+](C)(C)C3211.5Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3238.0Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3292.1Semi standard non polar33892256
Diphthamide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)[N+](C)(C)C3259.8Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3377.7Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3203.6Standard non polar33892256
Diphthamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3682.4Standard polar33892256
Diphthamide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3448.1Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3236.0Standard non polar33892256
Diphthamide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3758.8Standard polar33892256
Diphthamide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3402.5Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3082.5Standard non polar33892256
Diphthamide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3858.9Standard polar33892256
Diphthamide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3488.4Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3277.2Standard non polar33892256
Diphthamide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3751.1Standard polar33892256
Diphthamide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3552.3Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3331.4Standard non polar33892256
Diphthamide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3774.2Standard polar33892256
Diphthamide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3423.8Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3212.0Standard non polar33892256
Diphthamide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3735.6Standard polar33892256
Diphthamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3354.7Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3051.9Standard non polar33892256
Diphthamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3755.7Standard polar33892256
Diphthamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3402.2Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3212.8Standard non polar33892256
Diphthamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3910.0Standard polar33892256
Diphthamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3476.2Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3316.9Standard non polar33892256
Diphthamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3723.7Standard polar33892256
Diphthamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3404.0Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3186.6Standard non polar33892256
Diphthamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3666.5Standard polar33892256
Diphthamide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3405.7Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3287.4Standard non polar33892256
Diphthamide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3693.3Standard polar33892256
Diphthamide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3374.0Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3175.7Standard non polar33892256
Diphthamide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3858.2Standard polar33892256
Diphthamide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3469.1Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3275.4Standard non polar33892256
Diphthamide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3765.1Standard polar33892256
Diphthamide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)[N+](C)(C)C3417.0Semi standard non polar33892256
Diphthamide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)[N+](C)(C)C3116.2Standard non polar33892256
Diphthamide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)[N+](C)(C)C3589.2Standard polar33892256
Diphthamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3670.1Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3437.8Standard non polar33892256
Diphthamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3486.6Standard polar33892256
Diphthamide,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3616.4Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3280.8Standard non polar33892256
Diphthamide,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3448.9Standard polar33892256
Diphthamide,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3737.3Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3436.7Standard non polar33892256
Diphthamide,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3611.6Standard polar33892256
Diphthamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3541.0Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3263.6Standard non polar33892256
Diphthamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3350.2Standard polar33892256
Diphthamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3579.5Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3389.2Standard non polar33892256
Diphthamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CC[C@H](C(=N)O[Si](C)(C)C(C)(C)C)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3492.4Standard polar33892256
Diphthamide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3560.4Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3251.9Standard non polar33892256
Diphthamide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3656.0Standard polar33892256
Diphthamide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3679.2Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3424.0Standard non polar33892256
Diphthamide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3531.4Standard polar33892256
Diphthamide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3706.1Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3527.3Standard non polar33892256
Diphthamide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CC[C@H](C(=N)O)[N+](C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3557.1Standard polar33892256
Diphthamide,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3570.7Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3350.0Standard non polar33892256
Diphthamide,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3539.1Standard polar33892256
Diphthamide,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3672.3Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3335.5Standard non polar33892256
Diphthamide,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)(C)C3424.7Standard polar33892256
Diphthamide,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3733.3Semi standard non polar33892256
Diphthamide,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3465.6Standard non polar33892256
Diphthamide,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3567.9Standard polar33892256
Diphthamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3883.8Semi standard non polar33892256
Diphthamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3480.3Standard non polar33892256
Diphthamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[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)[NH]1)[N+](C)(C)C3317.8Standard polar33892256
Diphthamide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[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)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3904.4Semi standard non polar33892256
Diphthamide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[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)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3641.3Standard non polar33892256
Diphthamide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=N)[C@@H](CCC1=NC=C(C[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)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3431.7Standard polar33892256
Diphthamide,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3730.4Semi standard non polar33892256
Diphthamide,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3434.7Standard non polar33892256
Diphthamide,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3326.6Standard polar33892256
Diphthamide,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[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)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3897.9Semi standard non polar33892256
Diphthamide,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[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)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3594.4Standard non polar33892256
Diphthamide,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(O)[C@@H](CCC1=NC=C(C[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)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3473.0Standard polar33892256
Diphthamide,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3933.3Semi standard non polar33892256
Diphthamide,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3506.3Standard non polar33892256
Diphthamide,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)(C)C3386.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Diphthamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-2290000000-bbfa9b430bd9322a7d212017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Diphthamide GC-MS (2 TMS) - 70eV, Positivesplash10-05br-9255200000-5def98d150e230ca5cdc2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Diphthamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Diphthamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diphthamide 10V, Positive-QTOFsplash10-0udj-0090000000-1ee37a15b1c9ff4e869e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diphthamide 20V, Positive-QTOFsplash10-0zg0-0090000000-f621c585c10b0b86d9a12017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diphthamide 40V, Positive-QTOFsplash10-05ar-6980000000-3a4bed6b6c63a12bd5872017-10-06Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDiphthamide
METLIN IDNot Available
PubChem Compound5460185
PDB IDDDE
ChEBI IDNot Available
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. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

General function:
Not Available
Specific function:
Amidase that catalyzes the last step of diphthamide biosynthesis using ammonium and ATP. Diphthamide biosynthesis consists in the conversion of an L-histidine residue in the translation elongation factor eEF-2 (EEF2) to diphthamide (Probable).
Gene Name:
ATPBD4
Uniprot ID:
Q7L8W6
Molecular weight:
18657.27
Reactions
Adenosine triphosphate + Diphthine + Ammonia → ADP + Phosphate + Diphthamidedetails