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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-12 00:43:27 UTC
Update Date2021-09-26 23:18:33 UTC
HMDB IDHMDB0260440
Secondary Accession NumbersNone
Metabolite Identification
Common NameGlycomacropeptides
Description4-{[2-({6-amino-2-[(2-{[2-({2-[(6-amino-2-{[6-amino-2-({[1-(1-{2-[(2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-1-hydroxypropylidene)amino]-3-methylpentanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-4-{[1-(2-{[1-({1-[(1-{[1-({1-[(1-{[1-({[(4-carboxy-1-{2-[(1-{[1-({1-[2-({1-[(1-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({3-carboxy-1-[(2-carboxy-1-{[1-(2-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[2-(2-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-3-(C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]propyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxyethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}butanoic acid belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Based on a literature review very few articles have been published on 4-{[2-({6-amino-2-[(2-{[2-({2-[(6-amino-2-{[6-amino-2-({[1-(1-{2-[(2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-1-hydroxypropylidene)amino]-3-methylpentanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-4-{[1-(2-{[1-({1-[(1-{[1-({1-[(1-{[1-({[(4-carboxy-1-{2-[(1-{[1-({1-[2-({1-[(1-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({3-carboxy-1-[(2-carboxy-1-{[1-(2-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[2-(2-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-3-(C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]propyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxyethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}butanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycomacropeptides is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycomacropeptides is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
4-{[2-({6-amino-2-[(2-{[2-({2-[(6-amino-2-{[6-amino-2-({[1-(1-{2-[(2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-1-hydroxypropylidene)amino]-3-methylpentanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-4-{[1-(2-{[1-({1-[(1-{[1-({1-[(1-{[1-({[(4-carboxy-1-{2-[(1-{[1-({1-[2-({1-[(1-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({3-carboxy-1-[(2-carboxy-1-{[1-(2-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[2-(2-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-3-(C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]propyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxyethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}butanoateGenerator
4-{[2-({6-amino-2-[(2-{[2-({2-[(6-amino-2-{[6-amino-2-({[1-(1-{2-[(2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-1-hydroxypropylidene)amino]-3-methylpentanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-4-{[1-(2-{[1-({1-[(1-{[1-({1-[(1-{[1-({[(4-carboxy-1-{2-[(1-{[1-({1-[2-({1-[(1-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({3-carboxy-1-[(2-carboxy-1-{[1-(2-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[2-(2-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-3-(C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]propyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxyethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}butanoateGenerator
4-{[2-({6-amino-2-[(2-{[2-({2-[(6-amino-2-{[6-amino-2-({[1-(1-{2-[(2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-1-hydroxypropylidene)amino]-3-methylpentanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-4-{[1-(2-{[1-({1-[(1-{[1-({1-[(1-{[1-({[(4-carboxy-1-{2-[(1-{[1-({1-[2-({1-[(1-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({3-carboxy-1-[(2-carboxy-1-{[1-(2-{[3-carboxy-1-({1-[(1-{[3-carboxy-1-({1-[2-(2-{[3-carboxy-1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-3-(C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]propyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxyethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}butanoic acidGenerator
Chemical FormulaC288H476N72O108S
Average Molecular Weight6707.43
Monoisotopic Molecular Weight6703.368893749
IUPAC Name4-[2-(6-amino-2-{2-[2-(2-{6-amino-2-[6-amino-2-({1-[1-(2-{2-[2-amino-4-(methylsulfanyl)butanamido]propanamido}-3-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)hexanamido]hexanamido}-3-carbamoylpropanamido)-4-carbamoylbutanamido]-3-carboxypropanamido}hexanamido)-3-hydroxybutanamido]-4-{[1-(2-{[1-({1-[(2-carbamoyl-1-{[1-({1-[(1-{[1-({[(1-{2-[(1-{[1-({1-[2-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-(2-{[1-({1-[(1-{[1-({1-[2-(2-{[1-({1-[(2-carbamoyl-1-{[1-({1-[(3-carbamoyl-1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)carbamoyl]ethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-2-hydroxypropyl}carbamoyl)-2-methylpropyl]carbamoyl}propyl)carbamoyl]-2-methylpropyl}carbamoyl)-2-hydroxypropyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-carboxypropyl]carbamoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}carbamoyl)-3-carboxypropyl]carbamoyl}-2-methylbutyl)carbamoyl]-2-methylpropyl}carbamoyl)-3-carboxypropyl]carbamoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-carboxyethyl)carbamoyl]-3-carboxypropyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-hydroxypropyl)carbamoyl]ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-hydroxypropyl)carbamoyl]-2-hydroxyethyl}carbamoyl)-3-carboxypropyl]carbamoyl}-2-methylpropyl)carbamoyl]ethyl}carbamoyl)-3-carboxypropyl]carbamoyl}-2-hydroxypropyl)carbamoyl]-2-hydroxypropyl}carbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}carbamoyl)-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl}-4-carboxy-1-oxobutan-2-yl)carbamoyl]methyl}carbamoyl)-2-hydroxyethyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-2-hydroxypropyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid
Traditional Name4-[2-(6-amino-2-{2-[2-(2-{6-amino-2-[6-amino-2-({1-[1-(2-{2-[2-amino-4-(methylsulfanyl)butanamido]propanamido}-3-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)hexanamido]hexanamido}-3-carbamoylpropanamido)-4-carbamoylbutanamido]-3-carboxypropanamido}hexanamido)-3-hydroxybutanamido]-4-{[1-(2-{[1-({1-[(2-carbamoyl-1-{[1-({1-[(1-{[1-({[(1-{2-[(1-{[1-({1-[2-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-(2-{[1-({1-[(1-{[1-({1-[2-(2-{[1-({1-[(2-carbamoyl-1-{[1-({1-[(3-carbamoyl-1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-methylpropyl)carbamoyl]ethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-2-hydroxypropyl}carbamoyl)-2-methylpropyl]carbamoyl}propyl)carbamoyl]-2-methylpropyl}carbamoyl)-2-hydroxypropyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-carboxypropyl]carbamoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}carbamoyl)-3-carboxypropyl]carbamoyl}-2-methylbutyl)carbamoyl]-2-methylpropyl}carbamoyl)-3-carboxypropyl]carbamoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-carboxyethyl)carbamoyl]-3-carboxypropyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-hydroxypropyl)carbamoyl]ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-hydroxypropyl)carbamoyl]-2-hydroxyethyl}carbamoyl)-3-carboxypropyl]carbamoyl}-2-methylpropyl)carbamoyl]ethyl}carbamoyl)-3-carboxypropyl]carbamoyl}-2-hydroxypropyl)carbamoyl]-2-hydroxypropyl}carbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl}carbamoyl)-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl}-4-carboxy-1-oxobutan-2-yl)carbamoyl]methyl}carbamoyl)-2-hydroxyethyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-2-hydroxypropyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
CCC(C)C(NC(=O)C(CCC(O)=O)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCC(O)=O)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC(=O)C(N)CCSC)C(C)CC)C(C)O)C(C)CC)C(C)O)C(C)CC)C(C)O)C(C)CC)C(C)O)C(C)O)C(C)O)C(C)O)C(C)C)C(C)O)C(C)C)C(C)O)C(C)C)C(C)CC)C(=O)NC(CC(N)=O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C(C)C)C(O)=O
InChI Identifier
InChI=1S/C288H476N72O108S/c1-45-129(21)208(337-277(456)222(148(40)375)344-250(429)169(112-190(297)383)322-268(447)211(132(24)48-4)338-278(457)223(149(41)376)348-258(437)182-72-61-104-357(182)285(464)213(134(26)50-6)340-244(423)164(84-94-198(397)398)316-270(449)216(142(34)369)342-240(419)155(67-53-56-99-291)306-247(426)170(113-200(401)402)318-236(415)156(76-86-186(293)379)307-246(425)167(110-188(295)381)317-235(414)153(65-51-54-97-289)305-234(413)154(66-52-55-98-290)309-255(434)179-69-59-103-356(179)284(463)185-75-64-107-360(185)286(465)212(133(25)49-5)339-229(408)136(28)299-231(410)152(292)96-108-469-44)265(444)302-135(27)226(405)323-172(116-361)232(411)298-115-191(384)304-165(85-95-199(399)400)280(459)353-100-58-71-181(353)257(436)347-217(143(35)370)273(452)326-175(119-364)253(432)352-225(151(43)378)287(466)358-105-62-73-183(358)259(438)349-224(150(42)377)279(458)351-218(144(36)371)271(450)315-158(78-88-192(385)386)233(412)300-137(29)227(406)329-203(124(11)12)261(440)313-160(80-90-194(389)390)238(417)324-173(117-362)251(430)346-221(147(39)374)276(455)332-202(123(9)10)260(439)301-139(31)230(409)341-215(141(33)368)272(451)320-166(109-122(7)8)245(424)308-159(79-89-193(387)388)237(416)319-171(114-201(403)404)248(427)328-176(120-365)281(460)354-101-57-68-178(354)254(433)310-162(82-92-196(393)394)242(421)330-205(126(15)16)263(442)336-210(131(23)47-3)266(445)314-161(81-91-195(391)392)239(418)327-177(121-366)282(461)359-106-63-74-184(359)283(462)355-102-60-70-180(355)256(435)311-163(83-93-197(395)396)243(422)335-209(130(22)46-2)267(446)321-168(111-189(296)382)249(428)343-220(146(38)373)275(454)333-204(125(13)14)262(441)312-157(77-87-187(294)380)241(420)331-206(127(17)18)264(443)350-219(145(37)372)274(453)325-174(118-363)252(431)345-214(140(32)367)269(448)303-138(30)228(407)334-207(128(19)20)288(467)468/h122-185,202-225,361-378H,45-121,289-292H2,1-44H3,(H2,293,379)(H2,294,380)(H2,295,381)(H2,296,382)(H2,297,383)(H,298,411)(H,299,410)(H,300,412)(H,301,439)(H,302,444)(H,303,448)(H,304,384)(H,305,413)(H,306,426)(H,307,425)(H,308,424)(H,309,434)(H,310,433)(H,311,435)(H,312,441)(H,313,440)(H,314,445)(H,315,450)(H,316,449)(H,317,414)(H,318,415)(H,319,416)(H,320,451)(H,321,446)(H,322,447)(H,323,405)(H,324,417)(H,325,453)(H,326,452)(H,327,418)(H,328,427)(H,329,406)(H,330,421)(H,331,420)(H,332,455)(H,333,454)(H,334,407)(H,335,422)(H,336,442)(H,337,456)(H,338,457)(H,339,408)(H,340,423)(H,341,409)(H,342,419)(H,343,428)(H,344,429)(H,345,431)(H,346,430)(H,347,436)(H,348,437)(H,349,438)(H,350,443)(H,351,458)(H,352,432)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,467,468)
InChI KeyONBRGSXMBLYLNO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
KingdomOrganic compounds
Super ClassOrganic Polymers
ClassPolypeptides
Sub ClassNot Available
Direct ParentPolypeptides
Alternative Parents
Substituents
  • Polypeptide
  • Alpha peptide
  • Glutamine or derivatives
  • Glutamic acid or derivatives
  • Leucine or derivatives
  • Isoleucine or derivatives
  • Aspartic acid or derivatives
  • Asparagine or derivatives
  • Methionine or derivatives
  • Valine or derivatives
  • Proline or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Serine or derivatives
  • Alpha-amino acid amide
  • Alanine or derivatives
  • Alpha-amino acid or derivatives
  • N-substituted-alpha-amino acid
  • Pyrrolidine-2-carboxamide
  • Pyrrolidine carboxylic acid or derivatives
  • N-acylpyrrolidine
  • Fatty acyl
  • N-acyl-amine
  • Fatty amide
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Amino acid
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Primary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Primary alcohol
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not 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
logP10(-43) g/LChemAxon
pKa (Strongest Acidic)2.57ChemAxon
Physiological Charge-6ChemAxon
Hydrogen Acceptor Count112ChemAxon
Hydrogen Donor Count93ChemAxon
Polar Surface Area2856.95 ŲChemAxon
Rotatable Bond Count212ChemAxon
Refractivity1613.51 m³·mol⁻¹ChemAxon
Polarizability678.06 ųChemAxon
Number of Rings8ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Not Available
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
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 LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
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 References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]