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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:06 UTC
Update Date2023-02-21 17:19:19 UTC
HMDB IDHMDB0029862
Secondary Accession Numbers
  • HMDB29862
Metabolite Identification
Common NameCyromazine
DescriptionCyromazine, also known as larvadex or vetrazin, belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions. Cyromazine exists in all living organisms, ranging from bacteria to humans. Cyromazine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Cyromazine.
Structure
Data?1676999959
Synonyms
ValueSource
2,4-Diamino-6-(cyclopropylamino)-S-triazineChEBI
2-Cyclopropylamino-4,6-diamino-S-triazineChEBI
CyclopropylmelamineChEBI
LarvadexChEBI
N-Cyclopropyl-1,3,5-triazine-2,4,6-triamineChEBI
N-CyclopropylmelamineChEBI
TrigardChEBI
VetrazinChEBI
NeporexKegg
2,4-Diamino-6-(cyclopropylamino)-S-triazine (8ci)HMDB
ArmorHMDB
AzimethiphosHMDB
CGA 72662HMDB
CiromazinaHMDB
CitationHMDB
Cyclopropyl-1,3,5-triazine-2,4,6-triamineHMDB
CypromazineHMDB
CyromazinHMDB
CyromazinumHMDB
Diamino-6-(cyclopropylamino)-S-triazineHMDB
Larvadex premixHMDB
N(2)-Cyclopropyl-1,3,5-triazine-2,4,6-triamineHMDB
N-Cyclopropyl-1,3,5-triazin-2,4,6-triamineHMDB
N-Cyclopropyl-1,3,5-triazine-2,4,6-triamine, 9ciHMDB
N-Cyclopropyl-2,4,6-triamino-1,3,5-triazineHMDB
N-Cyclopropyltriazine-2,4,6-triamineHMDB
N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamineHMDB
NeoprexHMDB
Vetrazin (pesticide)HMDB
VetrazineHMDB
Cyromazine dihydrochlorideHMDB
Chemical FormulaC6H10N6
Average Molecular Weight166.1838
Monoisotopic Molecular Weight166.09669435
IUPAC NameN2-cyclopropyl-1,3,5-triazine-2,4,6-triamine
Traditional Namecyromazine
CAS Registry Number66215-27-8
SMILES
NC1=NC(NC2CC2)=NC(N)=N1
InChI Identifier
InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
InChI KeyLVQDKIWDGQRHTE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-Triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazines
Sub ClassAminotriazines
Direct ParentN-aliphatic s-triazines
Alternative Parents
Substituents
  • N-aliphatic s-triazine
  • Secondary aliphatic/aromatic amine
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point219 - 222 °CNot Available
Boiling Point480.60 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility13000 mg/L @ 25 °C (exp)The Good Scents Company Information System
LogP-0.040 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.71 g/LALOGPS
logP0.04ALOGPS
logP0.17ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)14.86ChemAxon
pKa (Strongest Basic)8.36ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area102.74 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity49.17 m³·mol⁻¹ChemAxon
Polarizability16.83 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+136.79831661259
DarkChem[M-H]-138.53131661259
DeepCCS[M+H]+134.030932474
DeepCCS[M-H]-130.17730932474
DeepCCS[M-2H]-167.76430932474
DeepCCS[M+Na]+143.30230932474
AllCCS[M+H]+139.532859911
AllCCS[M+H-H2O]+135.232859911
AllCCS[M+NH4]+143.632859911
AllCCS[M+Na]+144.832859911
AllCCS[M-H]-133.732859911
AllCCS[M+Na-2H]-134.532859911
AllCCS[M+HCOO]-135.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CyromazineNC1=NC(NC2CC2)=NC(N)=N12952.8Standard polar33892256
CyromazineNC1=NC(NC2CC2)=NC(N)=N11773.8Standard non polar33892256
CyromazineNC1=NC(NC2CC2)=NC(N)=N11875.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyromazine,1TMS,isomer #1C[Si](C)(C)NC1=NC(N)=NC(NC2CC2)=N12146.3Semi standard non polar33892256
Cyromazine,1TMS,isomer #1C[Si](C)(C)NC1=NC(N)=NC(NC2CC2)=N11756.8Standard non polar33892256
Cyromazine,1TMS,isomer #2C[Si](C)(C)N(C1=NC(N)=NC(N)=N1)C1CC12066.0Semi standard non polar33892256
Cyromazine,1TMS,isomer #2C[Si](C)(C)N(C1=NC(N)=NC(N)=N1)C1CC11847.8Standard non polar33892256
Cyromazine,2TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=NC(N[Si](C)(C)C)=N12136.3Semi standard non polar33892256
Cyromazine,2TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=NC(N[Si](C)(C)C)=N11880.2Standard non polar33892256
Cyromazine,2TMS,isomer #2C[Si](C)(C)N(C1=NC(N)=NC(NC2CC2)=N1)[Si](C)(C)C2104.1Semi standard non polar33892256
Cyromazine,2TMS,isomer #2C[Si](C)(C)N(C1=NC(N)=NC(NC2CC2)=N1)[Si](C)(C)C1891.5Standard non polar33892256
Cyromazine,2TMS,isomer #3C[Si](C)(C)NC1=NC(N)=NC(N(C2CC2)[Si](C)(C)C)=N12079.6Semi standard non polar33892256
Cyromazine,2TMS,isomer #3C[Si](C)(C)NC1=NC(N)=NC(N(C2CC2)[Si](C)(C)C)=N11888.7Standard non polar33892256
Cyromazine,3TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N12086.5Semi standard non polar33892256
Cyromazine,3TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N11991.9Standard non polar33892256
Cyromazine,3TMS,isomer #2C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=NC(N(C2CC2)[Si](C)(C)C)=N12077.6Semi standard non polar33892256
Cyromazine,3TMS,isomer #2C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=NC(N(C2CC2)[Si](C)(C)C)=N11966.5Standard non polar33892256
Cyromazine,3TMS,isomer #3C[Si](C)(C)N(C1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N1)C1CC12042.0Semi standard non polar33892256
Cyromazine,3TMS,isomer #3C[Si](C)(C)N(C1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N1)C1CC12053.7Standard non polar33892256
Cyromazine,4TMS,isomer #1C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(NC2CC2)=N1)[Si](C)(C)C2167.3Semi standard non polar33892256
Cyromazine,4TMS,isomer #1C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(NC2CC2)=N1)[Si](C)(C)C2136.7Standard non polar33892256
Cyromazine,4TMS,isomer #2C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N12144.6Semi standard non polar33892256
Cyromazine,4TMS,isomer #2C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N12101.7Standard non polar33892256
Cyromazine,5TMS,isomer #1C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N1)C1CC12277.0Semi standard non polar33892256
Cyromazine,5TMS,isomer #1C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=N1)C1CC12253.5Standard non polar33892256
Cyromazine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(NC2CC2)=N12348.3Semi standard non polar33892256
Cyromazine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(NC2CC2)=N11900.1Standard non polar33892256
Cyromazine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(N)=N1)C1CC12268.8Semi standard non polar33892256
Cyromazine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(N)=N1)C1CC12036.7Standard non polar33892256
Cyromazine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=NC(N[Si](C)(C)C(C)(C)C)=N12530.6Semi standard non polar33892256
Cyromazine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=NC(N[Si](C)(C)C(C)(C)C)=N12216.9Standard non polar33892256
Cyromazine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(NC2CC2)=N1)[Si](C)(C)C(C)(C)C2486.8Semi standard non polar33892256
Cyromazine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(NC2CC2)=N1)[Si](C)(C)C(C)(C)C2264.6Standard non polar33892256
Cyromazine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=N12438.3Semi standard non polar33892256
Cyromazine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=N12310.0Standard non polar33892256
Cyromazine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N12685.3Semi standard non polar33892256
Cyromazine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N12575.8Standard non polar33892256
Cyromazine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=N12681.3Semi standard non polar33892256
Cyromazine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=N12584.9Standard non polar33892256
Cyromazine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1)C1CC12604.0Semi standard non polar33892256
Cyromazine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1)C1CC12615.5Standard non polar33892256
Cyromazine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(NC2CC2)=N1)[Si](C)(C)C(C)(C)C2850.0Semi standard non polar33892256
Cyromazine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(NC2CC2)=N1)[Si](C)(C)C(C)(C)C2888.3Standard non polar33892256
Cyromazine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N12860.4Semi standard non polar33892256
Cyromazine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N12836.4Standard non polar33892256
Cyromazine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1)C1CC13076.3Semi standard non polar33892256
Cyromazine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1)C1CC13079.7Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyromazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0173-3900000000-4a0ac062a0adfcc5b64c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyromazine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0gb9-7900000000-402dbedad8e6bf2d7e1f2014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine LC-ESI-QTOF , positive-QTOFsplash10-014i-0900000000-5dc8f82e24d5a0fd29ce2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine LC-ESI-QTOF , positive-QTOFsplash10-014i-0900000000-050d94bd370514ff970b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine LC-ESI-QTOF , positive-QTOFsplash10-00or-0900000000-134377c670a9f05196862017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine LC-ESI-QTOF , positive-QTOFsplash10-0ufr-0900000000-469f7c2021bae1b980cd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine LC-ESI-QTOF , positive-QTOFsplash10-0udi-0900000000-1ec89b2fddda26c375162017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine LC-ESI-QFT , positive-QTOFsplash10-014i-2900000000-40be1b7e35476a62fba12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 10V, Positive-QTOFsplash10-014i-0900000000-d4081699f160e48ff1892021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 20V, Positive-QTOFsplash10-014i-0900000000-b1b89419891da555f0cc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 30V, Positive-QTOFsplash10-00or-0900000000-134377c670a9f05196862021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 50V, Positive-QTOFsplash10-0udi-0900000000-d7c5686ed162b5ea56892021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 30V, Positive-QTOFsplash10-00or-0900000000-00ed6e0592e66af5818c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 50V, Positive-QTOFsplash10-0udi-0900000000-1ec89b2fddda26c375162021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 10V, Positive-QTOFsplash10-014i-0900000000-a718e01fadd25754181e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 30V, Positive-QTOFsplash10-00or-0900000000-200ce8f39a0e38f69f782021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 20V, Positive-QTOFsplash10-014i-0900000000-cb4cad9abfb3804f36c12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 30V, Positive-QTOFsplash10-00or-0900000000-eefa0073e0318f6d243c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 40V, Positive-QTOFsplash10-0ufr-0900000000-469f7c2021bae1b980cd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 20V, Positive-QTOFsplash10-014i-0900000000-9c408324da9a91e249232021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyromazine 10V, Positive-QTOFsplash10-014i-0900000000-788d57d49171f96b39f42021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyromazine 10V, Positive-QTOFsplash10-014i-0900000000-5770727a05a9593574722016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyromazine 20V, Positive-QTOFsplash10-014i-3900000000-15c1a4ea36ce6899ae5b2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyromazine 40V, Positive-QTOFsplash10-000f-9200000000-33f147cd6df29d158db12016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyromazine 10V, Negative-QTOFsplash10-014i-1900000000-e606bf764cb109771a582016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyromazine 20V, Negative-QTOFsplash10-0006-9300000000-96a44b35f39d73a7255e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyromazine 40V, Negative-QTOFsplash10-001l-9300000000-7ae41094721900bb4f592016-08-03Wishart 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

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB001091
KNApSAcK IDNot Available
Chemspider ID43550
KEGG Compound IDC14147
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCyromazine
METLIN IDNot Available
PubChem Compound47866
PDB IDAX3
ChEBI ID30260
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1340011
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .