[D-Asp3,Ser7]MC-HtyR (CHEM120614)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2026-04-06 08:35:55 UTC
Update Date2026-05-21 08:46:51 UTC
Accession NumberCHEM120614
Identification
Common Name[D-Asp3,Ser7]MC-HtyR
ClassSmall Molecule
Description[D-Asp3,Ser7]MC-HtyR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 1,049 g/mol, [D-Asp3,Ser7]MC-HtyR is a heavy molecule. It has the chemical formula C51H72N10O14 and is classified as an organic acid and derivative. This compound is found in or released from 13 recorded sources across several sectors. Within the Electrical & Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in Textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. In the Food, food processing & cookware sector, it is linked to food packaging, while in the Healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. Additionally, the compound is found in lubricants used in both the Energy, oil & gas sector and the Industrial manufacturing & chemical processing sector, as well as one other sector. Recorded routes of exposure for this compound include inhalation, oral, and touch.
Contaminant SourcesNot Available
Contaminant Type
  • PFAS
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC51H72N10O14
Average Molecular Mass1049.193 g/mol
Monoisotopic Mass1048.523 g/mol
CAS Registry NumberNot Available
IUPAC Name(2S,5R,8S,11R,15S,18S,19S,22R)-15-(3-guanidinopropyl)-2-(hydroxymethyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
Traditional NameNot Available
SMILES[H][C@@](CC1=CC=CC=C1)(OC)[C@@H](C)\C=C(/C)\C=C\[C@]1([H])NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CCC2=CC=C(O)C=C2)NC(=O)[C@@H](C)NC(=O)[C@]([H])(CO)NC(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O
InChI IdentifierInChI=1S/C51H72N10O14/c1-28(24-29(2)41(75-5)25-33-10-7-6-8-11-33)13-19-35-30(3)44(66)60-38(49(71)72)21-22-42(64)57-40(27-62)48(70)55-31(4)45(67)59-37(20-16-32-14-17-34(63)18-15-32)47(69)61-39(50(73)74)26-43(65)56-36(46(68)58-35)12-9-23-54-51(52)53/h6-8,10-11,13-15,17-19,24,29-31,35-41,62-63H,9,12,16,20-23,25-27H2,1-5H3,(H,55,70)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,52,53,54)/b19-13+,28-24+/t29-,30-,31+,35-,36-,37-,38+,39+,40-,41-/m0/s1
InChI KeyOAOGBTSKBZVXOB-FQYRTJBPSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available