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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:23:51 UTC
Update Date2021-09-14 15:45:00 UTC
HMDB IDHMDB0039860
Secondary Accession Numbers
  • HMDB39860
Metabolite Identification
Common NamePropylene glycol alginate
DescriptionPropylene glycol alginate is a stabiliser, emulsifier, thickener, formulation aid, surface active agent and flavouring adjunct or adjuvant for foodstuffs Propylene glycol alginate (PGA) is an emulsifier, stabilizer, and thickener used in food products. It is a food additive with E number E405. Chemically, propylene glycol alginate is an ester of alginic acid, which is derived from kelp. Some of the carboxyl groups are esterified with propylene glycol, some are neutralized with an appropriate alkali, and some remain free.
Structure
Data?1563863450
Synonyms
ValueSource
Propylene glycol alginic acidGenerator
Colloid 602HMDB
DricoidHMDB
e405HMDB
FEMA 2941HMDB
KelcoloidHMDB
Many other trade namesHMDB
3-({3,4-dihydroxy-6-[(2-hydroxypropoxy)carbonyl]-5-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methoxyoxane-2-carboxylateGenerator
Propylene glycol alginateMeSH
Propylene glycol alginate esterMeSH
PGAEMeSH
Chemical FormulaC17H28O13
Average Molecular Weight440.3964
Monoisotopic Molecular Weight440.152990982
IUPAC Name3-({3,4-dihydroxy-6-[(2-hydroxypropoxy)carbonyl]-5-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
Traditional Name3-({3,4-dihydroxy-6-[(2-hydroxypropoxy)carbonyl]-5-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
COC1OC(C(OC2OC(C(C)C(O)C2O)C(=O)OCC(C)O)C(O)C1O)C(O)=O
InChI Identifier
InChI=1S/C17H28O13/c1-5(18)4-27-15(25)11-6(2)7(19)9(21)17(28-11)29-12-8(20)10(22)16(26-3)30-13(12)14(23)24/h5-13,16-22H,4H2,1-3H3,(H,23,24)
InChI KeyHDSBZMRLPLPFLQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glucuronides
Alternative Parents
Substituents
  • 1-o-glucuronide
  • O-glucuronide
  • Glycosyl compound
  • O-glycosyl compound
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • Pyran
  • Oxane
  • Carboxylic acid ester
  • Secondary alcohol
  • Oxacycle
  • Carboxylic acid
  • Acetal
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility61 g/LALOGPS
logP10(-1.8) g/LALOGPS
logP10(-2.4) g/LChemAxon
logS10(-0.86) g/LALOGPS
pKa (Strongest Acidic)3.26ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area201.67 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity91.62 m³·mol⁻¹ChemAxon
Polarizability41.73 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+201.44431661259
DarkChem[M-H]-194.35631661259

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Propylene glycol alginate,1TMS,#1COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O3271.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TMS,#2COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O3280.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TMS,#3COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O)C1O3309.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TMS,#4COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O3262.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C3276.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TMS,#6COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1O3237.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#1COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O3204.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#2COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O3298.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#3COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O3289.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#4COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O3273.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C3288.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#6COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O3210.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#7COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O3301.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#8COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3275.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#9COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3289.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#10COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O)C1O3246.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#11COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O3286.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#12COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C3305.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#13COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O3178.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#14COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3286.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TMS,#15COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C3212.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#1COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O3135.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#2COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O3094.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#3COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O3077.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#4COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C3115.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O3229.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#6COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O3239.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#7COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C3241.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#8COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3180.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#9COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3194.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#10COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3205.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#11COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O3128.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#12COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3067.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#13COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3109.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#14COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3225.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#15COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3238.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#16COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3201.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#17COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O3106.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#18COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C3154.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#19COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3244.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TMS,#20COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3100.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#1COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O3031.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#2COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O3009.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#3COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C3053.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#4COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2976.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#5COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3034.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#6COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3020.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#7COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3109.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#8COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3119.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#9COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3147.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#10COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3118.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#11COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3003.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#12COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3057.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#13COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3029.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#14COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3132.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TMS,#15COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3051.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,5TMS,#1COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2907.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,5TMS,#2COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2938.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,5TMS,#3COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2938.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,5TMS,#4COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2900.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,5TMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3018.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,5TMS,#6COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2933.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,6TMS,#1COC1OC(C(=O)O[Si](C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C)C(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2860.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TBDMS,#1COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3504.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TBDMS,#2COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3491.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TBDMS,#3COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O)C1O3548.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TBDMS,#4COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3483.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TBDMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3494.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,1TBDMS,#6COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1O3461.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#1COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3637.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#2COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3732.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#3COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3675.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#4COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3682.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3685.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#6COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3614.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#7COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3697.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#8COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3651.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#9COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3653.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#10COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O)C1O3659.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#11COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3696.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#12COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3700.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#13COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3603.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#14COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3649.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,2TBDMS,#15COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3616.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#1COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3803.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#2COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3761.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#3COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3779.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#4COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3779.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#5COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3855.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#6COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3885.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#7COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3874.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#8COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3819.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#9COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3821.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#10COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3834.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#11COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3781.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#12COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3745.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#13COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3752.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#14COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3839.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#15COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3836.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#16COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3806.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#17COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3777.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#18COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3779.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#19COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3846.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,3TBDMS,#20COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3738.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#1COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3898.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#2COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3922.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#3COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3921.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#5COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3881.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#6COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3894.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#7COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3979.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#8COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3973.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#9COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3994.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#10COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3930.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#11COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3893.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#12COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3896.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#13COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3849.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#14COC1OC(C(=O)O)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3954.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#15COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O[Si](C)(C)C(C)(C)C)C(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3884.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Propylene glycol alginate,4TBDMS,#4COC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(OC2OC(C(=O)OCC(C)O)C(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3876.1Semi standard non polarLange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
Spectra
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 IDFDB019518
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPropylene glycol alginate
METLIN IDNot Available
PubChem Compound131752735
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)Download (PDF)
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .