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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:03:28 UTC
Update Date2021-09-14 15:41:43 UTC
HMDB IDHMDB0029041
Secondary Accession Numbers
  • HMDB29041
Metabolite Identification
Common NameSerylhistidine
DescriptionSerylhistidine, also known as S-H or L-ser-L-his, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Serylhistidine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make serylhistidine a potential biomarker for the consumption of these foods. Serylhistidine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Serylhistidine.
Structure
Data?1582753368
Synonyms
ValueSource
L-Ser-L-hisChEBI
S-HChEBI
SHChEBI
L-Seryl-L-histidineHMDB
N-L-Seryl-L-histidineHMDB
N-SerylhistidineHMDB
S-H DipeptideHMDB
SH DipeptideHMDB
Ser-hisHMDB
Serine histidine dipeptideHMDB
Serine-histidine dipeptideHMDB
Serinyl-histidineHMDB
SerinylhistidineHMDB
Seryl-histidineHMDB
SerylhistidineChEBI
Chemical FormulaC9H14N4O4
Average Molecular Weight242.235
Monoisotopic Molecular Weight242.101504947
IUPAC Name(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Traditional Name(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
CAS Registry Number67726-09-4
SMILES
N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O
InChI Identifier
InChI=1S/C9H14N4O4/c10-6(3-14)8(15)13-7(9(16)17)1-5-2-11-4-12-5/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChI KeyYZMPDHTZJJCGEI-BQBZGAKWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-l-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Carboxamide group
  • Carboxylic acid salt
  • Amino acid
  • Secondary carboxylic acid amide
  • Organoheterocyclic compound
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Primary alcohol
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Primary amine
  • Alcohol
  • Organic zwitterion
  • Organic salt
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-4.97Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility13.9 g/LALOGPS
logP-3ALOGPS
logP-4.9ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)7.87ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.33 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity56.33 m³·mol⁻¹ChemAxon
Polarizability22.8 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
DeepCCS[M+H]+153.14630932474
DeepCCS[M-H]-150.7530932474
DeepCCS[M-2H]-183.77130932474
DeepCCS[M+Na]+159.13530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SerylhistidineN[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O3370.9Standard polar33892256
SerylhistidineN[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O2147.0Standard non polar33892256
SerylhistidineN[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O2738.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Serylhistidine,1TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O2445.5Semi standard non polar33892256
Serylhistidine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)NC(=O)[C@@H](N)CO2438.2Semi standard non polar33892256
Serylhistidine,1TMS,isomer #3C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O2491.2Semi standard non polar33892256
Serylhistidine,1TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC1=C[NH]C=N1)C(=O)O2367.4Semi standard non polar33892256
Serylhistidine,1TMS,isomer #5C[Si](C)(C)N1C=NC(C[C@H](NC(=O)[C@@H](N)CO)C(=O)O)=C12543.9Semi standard non polar33892256
Serylhistidine,2TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C2444.1Semi standard non polar33892256
Serylhistidine,2TMS,isomer #10C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2585.7Semi standard non polar33892256
Serylhistidine,2TMS,isomer #11C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2490.8Semi standard non polar33892256
Serylhistidine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O2478.3Semi standard non polar33892256
Serylhistidine,2TMS,isomer #3C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C2377.1Semi standard non polar33892256
Serylhistidine,2TMS,isomer #4C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2536.8Semi standard non polar33892256
Serylhistidine,2TMS,isomer #5C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C2493.3Semi standard non polar33892256
Serylhistidine,2TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)NC(=O)[C@@H](N)CO2528.8Semi standard non polar33892256
Serylhistidine,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)N(C(=O)[C@@H](N)CO)[Si](C)(C)C2367.2Semi standard non polar33892256
Serylhistidine,2TMS,isomer #8C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C2544.2Semi standard non polar33892256
Serylhistidine,2TMS,isomer #9C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C2421.1Semi standard non polar33892256
Serylhistidine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C2465.0Semi standard non polar33892256
Serylhistidine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C2396.2Standard non polar33892256
Serylhistidine,3TMS,isomer #10C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2587.0Semi standard non polar33892256
Serylhistidine,3TMS,isomer #10C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2370.2Standard non polar33892256
Serylhistidine,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N(C(=O)[C@@H](N)CO)[Si](C)(C)C2491.1Semi standard non polar33892256
Serylhistidine,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N(C(=O)[C@@H](N)CO)[Si](C)(C)C2417.6Standard non polar33892256
Serylhistidine,3TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C=N1)C(=O)O2486.7Semi standard non polar33892256
Serylhistidine,3TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C=N1)C(=O)O2567.4Standard non polar33892256
Serylhistidine,3TMS,isomer #13C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2683.4Semi standard non polar33892256
Serylhistidine,3TMS,isomer #13C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2558.1Standard non polar33892256
Serylhistidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2549.0Semi standard non polar33892256
Serylhistidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2460.7Standard non polar33892256
Serylhistidine,3TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2382.9Semi standard non polar33892256
Serylhistidine,3TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2352.2Standard non polar33892256
Serylhistidine,3TMS,isomer #3C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2562.2Semi standard non polar33892256
Serylhistidine,3TMS,isomer #3C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2340.8Standard non polar33892256
Serylhistidine,3TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2570.9Semi standard non polar33892256
Serylhistidine,3TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2590.0Standard non polar33892256
Serylhistidine,3TMS,isomer #5C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C2416.8Semi standard non polar33892256
Serylhistidine,3TMS,isomer #5C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C2481.8Standard non polar33892256
Serylhistidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2555.9Semi standard non polar33892256
Serylhistidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2475.9Standard non polar33892256
Serylhistidine,3TMS,isomer #7C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2506.6Semi standard non polar33892256
Serylhistidine,3TMS,isomer #7C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2436.9Standard non polar33892256
Serylhistidine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C2518.8Semi standard non polar33892256
Serylhistidine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C2497.5Standard non polar33892256
Serylhistidine,3TMS,isomer #9C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2408.9Semi standard non polar33892256
Serylhistidine,3TMS,isomer #9C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2392.6Standard non polar33892256
Serylhistidine,4TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2530.6Semi standard non polar33892256
Serylhistidine,4TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2518.1Standard non polar33892256
Serylhistidine,4TMS,isomer #10C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2538.7Semi standard non polar33892256
Serylhistidine,4TMS,isomer #10C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2459.6Standard non polar33892256
Serylhistidine,4TMS,isomer #11C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2624.3Semi standard non polar33892256
Serylhistidine,4TMS,isomer #11C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O2629.3Standard non polar33892256
Serylhistidine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2411.2Semi standard non polar33892256
Serylhistidine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2452.5Standard non polar33892256
Serylhistidine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2579.8Semi standard non polar33892256
Serylhistidine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2432.9Standard non polar33892256
Serylhistidine,4TMS,isomer #4C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2511.0Semi standard non polar33892256
Serylhistidine,4TMS,isomer #4C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2433.5Standard non polar33892256
Serylhistidine,4TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2541.1Semi standard non polar33892256
Serylhistidine,4TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2588.5Standard non polar33892256
Serylhistidine,4TMS,isomer #6C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2708.0Semi standard non polar33892256
Serylhistidine,4TMS,isomer #6C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2600.5Standard non polar33892256
Serylhistidine,4TMS,isomer #7C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2546.3Semi standard non polar33892256
Serylhistidine,4TMS,isomer #7C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C2525.0Standard non polar33892256
Serylhistidine,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C2669.1Semi standard non polar33892256
Serylhistidine,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C2543.4Standard non polar33892256
Serylhistidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2510.1Semi standard non polar33892256
Serylhistidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2545.1Standard non polar33892256
Serylhistidine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2590.8Semi standard non polar33892256
Serylhistidine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2565.3Standard non polar33892256
Serylhistidine,5TMS,isomer #2C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2678.9Semi standard non polar33892256
Serylhistidine,5TMS,isomer #2C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2576.6Standard non polar33892256
Serylhistidine,5TMS,isomer #3C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2557.1Semi standard non polar33892256
Serylhistidine,5TMS,isomer #3C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2522.2Standard non polar33892256
Serylhistidine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2674.5Semi standard non polar33892256
Serylhistidine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2656.4Standard non polar33892256
Serylhistidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2654.2Semi standard non polar33892256
Serylhistidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2623.2Standard non polar33892256
Serylhistidine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2724.8Semi standard non polar33892256
Serylhistidine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2649.2Standard non polar33892256
Serylhistidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O2677.6Semi standard non polar33892256
Serylhistidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)NC(=O)[C@@H](N)CO2686.0Semi standard non polar33892256
Serylhistidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O2710.6Semi standard non polar33892256
Serylhistidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC1=C[NH]C=N1)C(=O)O2638.9Semi standard non polar33892256
Serylhistidine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C=NC(C[C@H](NC(=O)[C@@H](N)CO)C(=O)O)=C12814.9Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C2905.1Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O3072.5Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O2996.8Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O2905.4Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C2867.3Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O3038.8Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C2937.4Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)NC(=O)[C@@H](N)CO3041.2Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C2863.5Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C2998.3Semi standard non polar33892256
Serylhistidine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C2885.7Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C3131.3Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C2977.9Standard non polar33892256
Serylhistidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3264.0Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C2966.5Standard non polar33892256
Serylhistidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C3182.4Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C2981.2Standard non polar33892256
Serylhistidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C=N1)C(=O)O3169.5Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C=N1)C(=O)O3097.8Standard non polar33892256
Serylhistidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3382.3Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3091.8Standard non polar33892256
Serylhistidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3232.5Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3019.4Standard non polar33892256
Serylhistidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3085.4Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2928.7Standard non polar33892256
Serylhistidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3242.3Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C2929.5Standard non polar33892256
Serylhistidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3243.2Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3120.7Standard non polar33892256
Serylhistidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3090.3Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3020.9Standard non polar33892256
Serylhistidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O3235.9Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O3038.1Standard non polar33892256
Serylhistidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3199.4Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C2989.3Standard non polar33892256
Serylhistidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3229.1Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3052.5Standard non polar33892256
Serylhistidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3093.3Semi standard non polar33892256
Serylhistidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2959.5Standard non polar33892256
Serylhistidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3461.7Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3189.7Standard non polar33892256
Serylhistidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3412.2Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3186.9Standard non polar33892256
Serylhistidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O3531.6Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O3303.5Standard non polar33892256
Serylhistidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3290.9Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3129.0Standard non polar33892256
Serylhistidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3419.6Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3156.6Standard non polar33892256
Serylhistidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3377.3Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3142.4Standard non polar33892256
Serylhistidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3413.3Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3241.2Standard non polar33892256
Serylhistidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3595.7Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3281.5Standard non polar33892256
Serylhistidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3419.9Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3209.9Standard non polar33892256
Serylhistidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3557.1Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3256.6Standard non polar33892256
Serylhistidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3384.0Semi standard non polar33892256
Serylhistidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3228.6Standard non polar33892256
Serylhistidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3637.8Semi standard non polar33892256
Serylhistidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3358.8Standard non polar33892256
Serylhistidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3755.5Semi standard non polar33892256
Serylhistidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3400.9Standard non polar33892256
Serylhistidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3588.7Semi standard non polar33892256
Serylhistidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3356.5Standard non polar33892256
Serylhistidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3744.1Semi standard non polar33892256
Serylhistidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3459.8Standard non polar33892256
Serylhistidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3715.2Semi standard non polar33892256
Serylhistidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3467.4Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Serylhistidine 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 - Serylhistidine 10V, Positive-QTOFsplash10-03fu-7290000000-46e81e2ff3294de15b282019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 20V, Positive-QTOFsplash10-03di-9520000000-ae57542e6d7eebde5eb52019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 40V, Positive-QTOFsplash10-01ox-9200000000-67340db0c0792d530b0c2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 10V, Negative-QTOFsplash10-0006-0390000000-73353b9032d582c33cf72019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 20V, Negative-QTOFsplash10-0ir3-5940000000-f4983d6b11762d60e0e52019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 40V, Negative-QTOFsplash10-0a4i-9200000000-d9d7da4dbaed235110292019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 10V, Positive-QTOFsplash10-0006-0190000000-9b15a55d1b1a1e951f9b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 20V, Positive-QTOFsplash10-03dl-9500000000-7e6d3e1ff8af2d1152682021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 40V, Positive-QTOFsplash10-03ec-9500000000-e5698585217cdac1eb682021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 10V, Negative-QTOFsplash10-0006-0690000000-e2317cb1efccf31f7e962021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 20V, Negative-QTOFsplash10-0a4l-8900000000-3400d807c481e69321342021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serylhistidine 40V, Negative-QTOFsplash10-07vl-9500000000-2bc69975bbd71c5316572021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB112049
KNApSAcK IDNot Available
Chemspider ID5379115
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7016093
PDB IDNot Available
ChEBI ID73651
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. Schmiedl A, Breitling F, Winter CH, Queitsch I, Dubel S: Effects of unpaired cysteines on yield, solubility and activity of different recombinant antibody constructs expressed in E. coli. J Immunol Methods. 2000 Aug 28;242(1-2):101-14. [PubMed:10986393 ]