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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:41 UTC
Update Date2021-10-13 06:04:17 UTC
HMDB IDHMDB0029940
Secondary Accession Numbers
  • HMDB29940
Metabolite Identification
Common NameAlginic acid
DescriptionAlginic acid, also referred to as algin or alginate, is a hydrophilic, anionic polysaccharide that occurs naturally in brown seaweeds (Laminaria sp., Macrocystis sp., Lessonia sp., and others). It is normally present on the cell walls and in the intracellular spaces of these seaweeds (PMID: 30000910 ). Alginate forms a viscous gel when mixed with water. It is mainly used as a thickener and stabilizer in foods, pharmaceuticals, and cosmetics. It has a unique ability to absorb and conform to small details making it ideal for creating dental impressions, hands, feet or other small-scale items. Alginate is also used as a thickening agent for soups, ice-cream, cosmetics, jellies, drinks and pharmaceutical preparations, including Gaviscon, which is used to inhibit acid reflux (PMID: 2258131 , 231639 , 4738939 , 6483217 , 13224336 ). Alginate is also used as a pharmaceutical ingredient to treat a variety of health conditions including diabetes, cholesterol, obesity, and digestive tract problems (PMID: 27738945 , 6355904 , 22054948 ). Its principal function in biomedical applications is as a hydrogel to treat wound healing and in tissue engineering (PMID: 23020277 , 1724711 , 31841826 , 391598 , 19235799 , 30959985 ).
Structure
Data?1563861914
Synonyms
ValueSource
AlginateGenerator
e400HMDB
Gum levanHMDB
KelacidHMDB
Levan gumHMDB
NorgineHMDB
SazioHMDB
Alginate, calciumHMDB
Alginate, copperHMDB
Calcium alginate, sodiumHMDB
KalrostatHMDB
XantalginHMDB
Alginic acid, calcium saltHMDB
Sodium calcium alginateHMDB
Barium alginateHMDB
Potassium alginateHMDB
Alginate, potassiumHMDB
AlginatesHMDB
Alginic acid, barium saltHMDB
Poly(mannuronic acid), sodium saltHMDB
Alginate, sodiumHMDB
Alloid gHMDB
Kalrostat 2HMDB
KaltostatHMDB
Alginic acid, potassium saltHMDB
CalginatHMDB
Alginate, bariumHMDB
Alginate, sodium calciumHMDB
Alginic acid, copper saltHMDB
VocoloidHMDB
Alginic acid, sodium saltHMDB
Calcium alginateHMDB
Copper alginateHMDB
Sodium alginateHMDB
6-{[2-carboxy-4,5-dihydroxy-6-(phosphanyloxy)oxan-3-yl]oxy}-4,5-dihydroxy-3-phosphanyloxane-2-carboxylateHMDB
Poly(mannuronic acid)HMDB
Polymannuronic acidHMDB
Polymannuronic-guluronic acidHMDB
Alginic acidMeSH
Chemical FormulaC12H20O12P2
Average Molecular Weight418.2275
Monoisotopic Molecular Weight418.042999128
IUPAC Name6-{[2-carboxy-4,5-dihydroxy-6-(phosphanyloxy)oxan-3-yl]oxy}-4,5-dihydroxy-3-phosphanyloxane-2-carboxylic acid
Traditional Name6-{[2-carboxy-4,5-dihydroxy-6-(phosphanyloxy)oxan-3-yl]oxy}-4,5-dihydroxy-3-phosphanyloxane-2-carboxylic acid
CAS Registry Number9005-32-7
SMILES
OC1C(O)C(OC2C(O)C(O)C(OP)OC2C(O)=O)OC(C1P)C(O)=O
InChI Identifier
InChI=1S/C12H20O12P2/c13-1-3(15)12(24-26)22-6(9(17)18)5(1)21-11-4(16)2(14)8(25)7(23-11)10(19)20/h1-8,11-16H,25-26H2,(H,17,18)(H,19,20)
InChI KeyFHVDTGUDJYJELY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • Oxane
  • Pyran
  • Secondary alcohol
  • Acetal
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organophosphorus compound
  • 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 Point716.00 to 718.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-3.203 (est)The Good Scents Company Information System
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility217 g/LALOGPS
logP10(-1.5) g/LALOGPS
logP10(-4.1) g/LChemAxon
logS10(-0.29) g/LALOGPS
pKa (Strongest Acidic)3.14ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area192.44 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity77.98 m³·mol⁻¹ChemAxon
Polarizability35.32 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]+194.1831661259
DarkChem[M-H]-187.09131661259

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Alginic acid,1TMS,#1C[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(OP)C(O)C2O)OC(C(=O)O)C1P3311.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TMS,#2C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O)OC(C(=O)O)C(P)C1O3316.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TMS,#3C[Si](C)(C)OC1C(O)C(OP)OC(C(=O)O)C1OC1OC(C(=O)O)C(P)C(O)C1O3293.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TMS,#4C[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O)C2O)C1O3297.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TMS,#5C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O3272.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TMS,#6C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O)C(O)C1P3274.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#1C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O)OC(C(=O)O)C(P)C1O[Si](C)(C)C3285.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#2C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O3227.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#3C[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O[Si](C)(C)C)C2O)C1O3263.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#4C[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C1P3262.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#5C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O)C(O[Si](C)(C)C)C1P3238.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#6C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C3231.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#7C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O)OC(C(=O)O)C(P)C1O3269.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#8C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C(P)C1O3266.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#9C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O[Si](C)(C)C)C(O)C1P3243.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#10C[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O)C2O)C1O[Si](C)(C)C3271.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#11C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O3205.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#12C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)C(O)C(O)C1P3210.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#13C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O3215.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#14C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O)C(O)C(O)C1P3210.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TMS,#15C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O)C(O)C(O)C1P3181.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#1C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O[Si](C)(C)C3159.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#2C[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O3255.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#3C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C(P)C1O[Si](C)(C)C3245.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#4C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P3164.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#5C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O3128.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#6C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O3124.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#7C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O)C(O)C(O[Si](C)(C)C)C1P3082.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#8C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1P3148.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#9C[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C(=O)O)C1P3246.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#10C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1P3155.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#11C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C3114.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#12C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C3105.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#13C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O)C(O[Si](C)(C)C)C(O)C1P3081.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#15C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1P3139.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#16C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1P3142.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#17C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O3094.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#18C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1P3141.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#19C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C)C(O)C(O)C1P3043.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#20C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O)C(O)C(O)C1P3054.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#1C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O[Si](C)(C)C3090.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#2C[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O[Si](C)(C)C3069.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#3C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P3037.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#4C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P3107.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#6C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P3109.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#7C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O3067.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#8C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1P3023.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#9C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1P3016.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#10C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1P3123.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#11C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C3049.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#12C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1P3038.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TMS,#13C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1P3016.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,5TMS,#1C[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C)C1O[Si](C)(C)C3039.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,5TMS,#2C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P3014.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,5TMS,#3C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P2989.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,5TMS,#4C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P3085.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TBDMS,#1CC(C)(C)[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(OP)C(O)C2O)OC(C(=O)O)C1P3557.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TBDMS,#2CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O)OC(C(=O)O)C(P)C1O3555.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TBDMS,#3CC(C)(C)[Si](C)(C)OC1C(O)C(OP)OC(C(=O)O)C1OC1OC(C(=O)O)C(P)C(O)C1O3539.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TBDMS,#4CC(C)(C)[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O)C2O)C1O3538.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TBDMS,#5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O3520.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,1TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O)C(O)C1P3526.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#1CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O)OC(C(=O)O)C(P)C1O[Si](C)(C)C(C)(C)C3695.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O3637.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#3CC(C)(C)[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C2O)C1O3671.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#4CC(C)(C)[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1P3675.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3644.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C(C)(C)C3628.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#7CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)OC(C(=O)O)C(P)C1O3666.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#8CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(P)C1O3673.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#9CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1P3636.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#10CC(C)(C)[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O)C2O)C1O[Si](C)(C)C(C)(C)C3669.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#11CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O3618.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1P3625.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#13CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O3619.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#14CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1P3617.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,2TBDMS,#15CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O)C(O)C(O)C1P3588.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3759.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#2CC(C)(C)[Si](C)(C)OC1C(OP)OC(C(=O)O)C(OC2OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O3785.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#3CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(P)C1O[Si](C)(C)C(C)(C)C3786.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1P3760.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O3762.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O3765.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#7CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3720.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#8CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3768.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#9CC(C)(C)[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1P3792.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#10CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3783.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#11CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C(C)(C)C3739.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C(C)(C)C3742.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#13CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1P3714.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#14CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(P)C1O3768.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#15CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1P3741.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#16CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1P3755.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#17CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O3733.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#18CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1P3746.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#19CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1P3708.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TBDMS,#20CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1P3702.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3884.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1P3863.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1P3880.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#5CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(P)C1O[Si](C)(C)C(C)(C)C3913.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1P3902.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#7CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O3886.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#8CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3862.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#9CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3874.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#10CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1P3897.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#11CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O)C1O[Si](C)(C)C(C)(C)C3865.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1P3861.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#14CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)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)C(O)C1P3879.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,4TBDMS,#15CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1P3850.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Alginic acid,3TMS,#14C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C(=O)O)C(P)C1O3239.1Semi 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.
Alginic acid,4TMS,#5C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C(=O)O)C(P)C1O[Si](C)(C)C3173.1Semi 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.
Alginic acid,4TMS,#14C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1P3112.0Semi 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.
Alginic acid,4TMS,#15C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1P2993.6Semi 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.
Alginic acid,5TMS,#5C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1P2977.2Semi 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.
Alginic acid,5TMS,#6C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1P2996.9Semi 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.
Alginic acid,6TMS,#1C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(OP)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1P2944.3Semi 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.
Alginic acid,4TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)C1OC(OP)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(P)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3892.3Semi 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.
Alginic acid,4TBDMS,#13CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(OP)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1P3868.3Semi 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

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9243200000-d5b1e8aa630e36f4264d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (3 TMS) - 70eV, Positivesplash10-00kb-9121024000-e89a4431b97c85a3aa502017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_3_14) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_4_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_4_14) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_4_15) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_5_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_5_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TMS_6_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TBDMS_4_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (TBDMS_4_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Alginic acid GC-MS ("Alginic acid,3TMS,#14" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 10V, Positive-QTOFsplash10-0zir-0194800000-8fb1fd854f8df86247ff2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 20V, Positive-QTOFsplash10-0a6r-0292000000-c4aac63a56482ad7b2862017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 40V, Positive-QTOFsplash10-056r-3950000000-f565d444faec7d106d3a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 10V, Negative-QTOFsplash10-0691-0579300000-8b84d35a3033df5256522017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 20V, Negative-QTOFsplash10-0a4i-5963000000-ef424b7a7f11f8d668fb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 40V, Negative-QTOFsplash10-0a6s-2930000000-18bac6b4cce4b7411c362017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 10V, Positive-QTOFsplash10-0gb9-0012900000-e54dcab7ebfacec2f8bb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 20V, Positive-QTOFsplash10-002g-1912200000-381b88c9dd519422472e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 40V, Positive-QTOFsplash10-0aba-4920000000-1c4a03ee372a58c67b8a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 10V, Negative-QTOFsplash10-014i-0001900000-0f2d66f552dec532c56f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 20V, Negative-QTOFsplash10-0aov-3975300000-46106ceb8fbddc7b0d8f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Alginic acid 40V, Negative-QTOFsplash10-056u-9720000000-1276804a47afb4b425c12021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart 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 IDDB13518
Phenol Explorer Compound IDNot Available
FooDB IDFDB001212
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC01768
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAlginic acid
METLIN IDNot Available
PubChem Compound131704328
PDB IDNot Available
ChEBI ID17548
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1097561
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Authors unspecified: Seaweed. 2006. [PubMed:30000910 ]
  2. Hutt HJ, Tauber O, Flach D: [Gaviscon in reflux symptoms. Results of a drug monitoring study]. Fortschr Med. 1990 Oct 30;108(31):598-600. [PubMed:2258131 ]
  3. Malmud LS, Charkes ND, Littlefield J, Reilley J, Stern H, Rosenberg R, Fisher RS: The mode of action alginic acid compound in the reduction of gastroesophageal reflux. J Nucl Med. 1979 Oct;20(10):1023-8. [PubMed:231639 ]
  4. Fiedler F, Leysath G, Werle E: Hdrolysis of amino-acid esters by pig-pancreatic kallikrein. Eur J Biochem. 1973 Jul 2;36(1):152-9. doi: 10.1111/j.1432-1033.1973.tb02895.x. [PubMed:4738939 ]
  5. Triggiani E, Tricarico A, Liguori G: [Control of reflux esophagitis in gastroresected patients. Medical treatment with alginic acid]. Minerva Chir. 1984 Jun 15;39(11):869-74. [PubMed:6483217 ]
  6. VOGT H: [The use of alginic acid and alginates in pharmaceutical technology. 5. Studies on drugs and galenic preparations]. Pharm Zentralhalle Dtschl. 1954 Sep;93(9):323-33. [PubMed:13224336 ]
  7. Calafiore R, Basta G, Montanucci P: Microencapsulation of Islets for the Treatment of Type 1 Diabetes Mellitus (T1D). Methods Mol Biol. 2017;1479:283-304. doi: 10.1007/978-1-4939-6364-5_23. [PubMed:27738945 ]
  8. Smedile G, Pata P, Sobbrio G, Morabito S, Mancuso MT, Lo Greco G, Forgione F, Russo R, Coppolino A, Arcoraci A: [Pharmacological effects of an alginic acid treatment in young obese subjects and its effect on changes in blood gastrin, blood glucagon, immunoreactive insulin and C-peptide]. Minerva Dietol Gastroenterol. 1983 Jul-Sep;29(3):191-202. [PubMed:6355904 ]
  9. Shirosaki M, Koyama T: Laminaria japonica as a food for the prevention of obesity and diabetes. Adv Food Nutr Res. 2011;64:199-212. doi: 10.1016/B978-0-12-387669-0.00015-6. [PubMed:22054948 ]
  10. Cheng Y, Yu S, Zhen X, Wang X, Wu W, Jiang X: Alginic acid nanoparticles prepared through counterion complexation method as a drug delivery system. ACS Appl Mater Interfaces. 2012 Oct 24;4(10):5325-32. doi: 10.1021/am3012627. Epub 2012 Oct 11. [PubMed:23020277 ]
  11. Ushakov RV, Dugarov BD, Iakubovich VS, Komissarova AL, Shargorodskii VM: [The use of alginic acid-based preparations for treating suppurative wounds of the maxillofacial area and neck]. Stomatologiia (Mosk). 1991 Sep-Oct;(5):46-7. [PubMed:1724711 ]
  12. Forouzandehdel S, Forouzandehdel S, Rezghi Rami M: Synthesis of a novel magnetic starch-alginic acid-based biomaterial for drug delivery. Carbohydr Res. 2020 Jan;487:107889. doi: 10.1016/j.carres.2019.107889. Epub 2019 Dec 6. [PubMed:31841826 ]
  13. Iasnitskii BG, Bezuglaia LP, Dol'berg EB: [Alginic acid in pharmacy and medicine]. Farmatsiia. 1979 Nov-Dec;28(6):58-62. [PubMed:391598 ]
  14. Guo R, Li R, Li X, Zhang L, Jiang X, Liu B: Dual-functional alginic acid hybrid nanospheres for cell imaging and drug delivery. Small. 2009 Mar;5(6):709-17. doi: 10.1002/smll.200801375. [PubMed:19235799 ]
  15. Tiwari S, Patil R, Bahadur P: Polysaccharide Based Scaffolds for Soft Tissue Engineering Applications. Polymers (Basel). 2018 Dec 20;11(1). pii: polym11010001. doi: 10.3390/polym11010001. [PubMed:30959985 ]
  16. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:
UGT2B4
Uniprot ID:
P06133
Molecular weight:
60512.035
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:
UGT1A4
Uniprot ID:
P22310
Molecular weight:
60024.535
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:
UGT2B7
Uniprot ID:
P16662
Molecular weight:
60720.15
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A9
Uniprot ID:
O60656
Molecular weight:
59940.495
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A6
Uniprot ID:
P19224
Molecular weight:
60750.215