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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-03-04 20:23:05 UTC
Update Date2021-09-14 15:37:14 UTC
HMDB IDHMDB0059788
Secondary Accession Numbers
  • HMDB59788
Metabolite Identification
Common NameHemorphin-4
DescriptionHemorphin-4 is an endogenous 4-residue opioid peptide of the hemorphin family which possesses antinociceptive properties. It has the amino acid sequence Tyr-Pro-Trp-Thr. It is derived from the β-chain of hemoglobin in the bloodstream. Hemorphin-4 has affinities for the μ-, δ-, and κ-opioid receptors that are in the same range as the structurally related β-casomorphins, although affinity to the κ-opioid receptor is markedly higher in comparison. It acts as an agonist at these sites. Hemorphin-4 also has inhibitory effects on angiotensin-converting enzyme (ACE).
Structure
Data?1563865974
Synonyms
ValueSource
Tyr-pro-TRP-THRHMDB
Tyrosyl-prolyl-tryptophyl-threonineHMDB
Hemorphin 4MeSH
Hemorphin-4MeSH
Chemical FormulaC29H35N5O7
Average Molecular Weight565.6175
Monoisotopic Molecular Weight565.253648499
IUPAC Name(2S,3R)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-hydroxybutanoic acid
Traditional Name(2S,3R)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-hydroxybutanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(C(O)=O)[C@@]([H])(C)O
InChI Identifier
InChI=1S/C29H35N5O7/c1-16(35)25(29(40)41)33-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)32-27(38)24-7-4-12-34(24)28(39)21(30)13-17-8-10-19(36)11-9-17/h2-3,5-6,8-11,15-16,21,23-25,31,35-36H,4,7,12-14,30H2,1H3,(H,32,38)(H,33,37)(H,40,41)/t16-,21+,23+,24+,25+/m1/s1
InChI KeyWEGGKZQIJMQCGR-RECQUVTISA-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
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-l-alpha-amino acid
  • Proline or derivatives
  • Alpha-amino acid amide
  • Triptan
  • 3-alkylindole
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Indole or derivatives
  • Indole
  • Pyrrolidine carboxylic acid or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine-2-carboxamide
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Phenol
  • Beta-hydroxy acid
  • Monocyclic benzene moiety
  • Fatty amide
  • Hydroxy acid
  • Fatty acyl
  • Benzenoid
  • Substituted pyrrole
  • Pyrrolidine
  • Tertiary carboxylic acid amide
  • Pyrrole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Organoheterocyclic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Primary amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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 Solubility0.027 g/LALOGPS
logP0.05ALOGPS
logP-0.16ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)3.43ChemAxon
pKa (Strongest Basic)8.02ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area205.06 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity149.39 m³·mol⁻¹ChemAxon
Polarizability58.47 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+227.49131661259
DarkChem[M-H]-223.51431661259
DeepCCS[M-2H]-248.03130932474
DeepCCS[M+Na]+221.80630932474
AllCCS[M+H]+229.932859911
AllCCS[M+H-H2O]+228.832859911
AllCCS[M+NH4]+231.032859911
AllCCS[M+Na]+231.232859911
AllCCS[M-H]-217.532859911
AllCCS[M+Na-2H]-219.632859911
AllCCS[M+HCOO]-222.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Hemorphin-4[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(C(O)=O)[C@@]([H])(C)O5114.8Standard polar33892256
Hemorphin-4[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(C(O)=O)[C@@]([H])(C)O3743.5Standard non polar33892256
Hemorphin-4[H][C@](N)(CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(C(O)=O)[C@@]([H])(C)O5251.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hemorphin-4,1TMS,isomer #1C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O5008.6Semi standard non polar33892256
Hemorphin-4,1TMS,isomer #2C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4956.6Semi standard non polar33892256
Hemorphin-4,1TMS,isomer #3C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4951.6Semi standard non polar33892256
Hemorphin-4,1TMS,isomer #4C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4936.1Semi standard non polar33892256
Hemorphin-4,1TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5006.0Semi standard non polar33892256
Hemorphin-4,1TMS,isomer #6C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O5029.6Semi standard non polar33892256
Hemorphin-4,1TMS,isomer #7C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5051.6Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4867.2Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #10C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4855.6Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #11C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4840.6Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #12C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4815.6Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #13C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4786.5Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #14C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4843.9Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #15C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4826.9Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #16C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4820.5Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #17C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4856.6Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #18C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4835.8Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #19C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4893.5Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #2C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4830.9Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #20C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4874.9Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #21C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4916.7Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #22C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O5049.2Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #3C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4850.4Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #4C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4842.9Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #5C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4921.2Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #6C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4915.1Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #7C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4831.1Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #8C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4775.4Semi standard non polar33892256
Hemorphin-4,2TMS,isomer #9C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4793.9Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4751.8Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #10C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4733.1Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #11C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4802.1Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #12C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4779.9Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #13C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4809.4Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #14C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4778.7Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #15C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4851.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #16C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4940.6Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #17C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4696.6Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #18C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4717.4Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #19C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4775.7Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4763.2Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #20C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4744.5Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #21C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4648.5Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #22C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4698.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #23C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4689.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #24C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4732.5Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #25C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4696.3Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #26C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4774.2Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #27C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4890.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #28C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4696.8Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #29C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4758.5Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4760.2Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #30C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4734.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #31C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4718.9Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #32C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4683.9Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #33C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4749.3Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #34C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4861.9Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #35C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4766.1Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #36C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4736.1Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #37C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4772.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #38C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4884.1Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #39C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4806.4Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4828.6Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #40C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4921.5Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #41C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4974.7Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4804.9Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #6C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4708.4Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #7C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4714.0Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #8C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4772.3Semi standard non polar33892256
Hemorphin-4,3TMS,isomer #9C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4751.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4685.5Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #10C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4772.3Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #11C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4875.2Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #12C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4628.3Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #13C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4687.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #14C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4658.7Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #15C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4691.9Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #16C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4653.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #17C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4704.1Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #18C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4815.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #19C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4717.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4668.3Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #20C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4678.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #21C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4745.4Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #22C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4843.5Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #23C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4740.7Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #24C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4851.9Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #25C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4926.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #26C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4603.1Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #27C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4678.7Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #28C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O4648.4Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #29C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4689.5Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4729.6Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #30C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4654.9Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #31C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4716.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #32C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4836.5Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #33C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4617.7Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #34C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4595.6Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #35C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4646.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #36C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4775.3Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #37C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4665.5Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #38C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4796.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #39C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4864.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4695.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #40C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4660.1Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #41C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C4626.4Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #42C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O4687.9Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #43C[C@@H](O[Si](C)(C)C)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4814.1Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #44C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4638.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #45C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4783.3Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #46C[C@@H](O)[C@H](N=C(O[Si](C)(C)C)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4833.4Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #47C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4694.2Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #48C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4831.0Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #49C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C4848.9Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4704.9Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #50C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4895.8Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #6C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O4756.2Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #7C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O4712.2Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #8C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4750.6Semi standard non polar33892256
Hemorphin-4,4TMS,isomer #9C[C@@H](O[Si](C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4712.1Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #1C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5239.1Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #2C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5179.9Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #3C[C@@H](O)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5169.1Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #4C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5184.4Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #5C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5221.2Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #6C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O5236.3Semi standard non polar33892256
Hemorphin-4,1TBDMS,isomer #7C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5244.5Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5298.5Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #10C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O5235.8Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #11C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5230.2Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #12C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5233.6Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #13C[C@@H](O)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5221.8Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #14C[C@@H](O)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O5228.9Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #15C[C@@H](O)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5221.9Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #16C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5236.1Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #17C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5252.9Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #18C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5224.5Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #19C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O5252.0Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #2C[C@@H](O)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5271.0Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #20C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5266.6Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #21C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O5288.1Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #22C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O5443.8Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #3C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5282.2Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #4C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5284.9Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #5C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O5334.9Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #6C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5314.0Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #7C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5235.8Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #8C[C@@H](O)[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O5210.2Semi standard non polar33892256
Hemorphin-4,2TBDMS,isomer #9C[C@@H](O)[C@H](N=C(O)[C@H](CC1=C[NH]C2=CC=CC=C12)N=C(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5221.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kp-9320310000-4c3cc9a2822fd62434442017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (1 TMS) - 70eV, Positivesplash10-0a4i-5296221000-d2be4101c66e1bedc6332017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS ("Hemorphin-4,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hemorphin-4 GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 10V, Positive-QTOFsplash10-00kb-0312190000-90efc58025306151032b2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 20V, Positive-QTOFsplash10-014r-2942110000-779a49b7673657d73e302017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 40V, Positive-QTOFsplash10-0q2i-3930000000-9c57d046bdee7684ca2c2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 10V, Negative-QTOFsplash10-03ka-0010290000-8fe53b72400de8c79e572017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 20V, Negative-QTOFsplash10-0g5a-0263490000-c16628f480cfafd810e32017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 40V, Negative-QTOFsplash10-0gk9-6971000000-88082a4a2f8aebe5daca2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 10V, Positive-QTOFsplash10-014i-0200190000-884709f1a16de119a1622021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 20V, Positive-QTOFsplash10-0fri-0900640000-41076727df744f0cb2cf2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 40V, Positive-QTOFsplash10-00xr-4900000000-c802334ea7151663ad9f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 10V, Negative-QTOFsplash10-01ot-0001290000-6f547046b349c764f72a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 20V, Negative-QTOFsplash10-000t-0121930000-ac8a44534d40c03b7a782021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hemorphin-4 40V, Negative-QTOFsplash10-0uec-5692400000-504486ca83bf5994ceff2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C 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 LinkHemorphin-4
METLIN IDNot Available
PubChem Compound128444
PDB IDNot Available
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 ReferencesNot Available