ChemSpider 2D Image | LECITHIN | C42H80NO8P

LECITHIN

  • Molecular FormulaC42H80NO8P
  • Average mass758.060 Da
  • Monoisotopic mass757.562134 Da
  • ChemSpider ID4450224

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
17708-90-6 [RN]
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
1-Hexadecanoyl-2-(cis-9,12-octadecadienoyl)-sn-glycero-3-phosphocholine
1-Palmitoyl-2-linoleoyl-sn-glycero-3-PC
3-sn-Phosphatidylcholine, 2-linoleoyl-1-palmitoyl
8002-43-5 [RN]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
LECITHIN
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5209585 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9<stereo>Z</stereo>,12<stereo>Z</stereo>-octadecadienoyl (linoleoyl) respectively. ChEBI CHEBI:73002
      A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73002, CHEBI:73002

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-8158
      Amaranthus hypochondriacus PlantCyc CPD-8158
      Amborella trichopoda PlantCyc CPD-8158
      Anacardium occidentale PlantCyc CPD-8158
      Ananas comosus PlantCyc CPD-8158
      Aquilegia coerulea PlantCyc CPD-8158
      Arabidopsis halleri PlantCyc CPD-8158
      Arabidopsis lyrata PlantCyc CPD-8158
      Arabidopsis thaliana col PlantCyc CPD-8158
      Asparagus officinalis PlantCyc CPD-8158
      Beta vulgaris subsp. vulgaris PlantCyc CPD-8158
      Boechera stricta PlantCyc CPD-8158
      Brachypodium distachyon PlantCyc CPD-8158
      Brassica napus PlantCyc CPD-8158
      Brassica oleracea var. capitata PlantCyc CPD-8158
      Brassica oleracea var. oleracea PlantCyc CPD-8158
      Brassica rapa FPsc PlantCyc CPD-8158
      Brassica rapa subsp. pekinensis PlantCyc CPD-8158
      Calotropis gigantea PlantCyc CPD-8158
      Camptotheca acuminata PlantCyc CPD-8158
      Cannabis sativa PlantCyc CPD-8158
      Capsella grandiflora PlantCyc CPD-8158
      Capsella rubella PlantCyc CPD-8158
      Capsicum annuum PlantCyc CPD-8158
      Carica papaya PlantCyc CPD-8158
      Catharanthus roseus PlantCyc CPD-8158
      Chenopodium quinoa PlantCyc CPD-8158
      Chromochloris zofingiensis PlantCyc CPD-8158
      Cicer arietinum PlantCyc CPD-8158
      Citrus clementina PlantCyc CPD-8158
      Citrus sinensis PlantCyc CPD-8158
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-8158
      Corchorus capsularis PlantCyc CPD-8158
      Cucumis sativus PlantCyc CPD-8158
      Daucus carota subsp. sativus PlantCyc CPD-8158
      Dianthus caryophyllus PlantCyc CPD-8158
      Dioscorea rotundata PlantCyc CPD-8158
      Eucalyptus grandis PlantCyc CPD-8158
      Eutrema salsugineum PlantCyc CPD-8158
      Fragaria vesca subsp. vesca PlantCyc CPD-8158
      Glycine max PlantCyc CPD-8158
      Gossypium raimondii PlantCyc CPD-8158
      Helianthus annuus PlantCyc CPD-8158
      Hordeum vulgare subsp. vulgare PlantCyc CPD-8158
      Humulus lupulus var. lupulus PlantCyc CPD-8158
      Kalanchoe fedtschenkoi PlantCyc CPD-8158
      Leersia perrieri PlantCyc CPD-8158
      Linum usitatissimum PlantCyc CPD-8158
      Lotus japonicus PlantCyc CPD-8158
      Malus domestica PlantCyc CPD-8158
      Manihot esculenta PlantCyc CPD-8158
      Marchantia polymorpha PlantCyc CPD-8158
      Medicago truncatula PlantCyc CPD-8158
      Mimulus guttatus PlantCyc CPD-8158
      Miscanthus sinensis PlantCyc CPD-8158
      Musa acuminata PlantCyc CPD-8158
      Nicotiana tabacum PlantCyc CPD-8158
      Olea europaea var. sylvestris PlantCyc CPD-8158
      Oryza brachyantha PlantCyc CPD-8158
      Oryza glaberrima PlantCyc CPD-8158
      Oryza punctata PlantCyc CPD-8158
      Oryza rufipogon PlantCyc CPD-8158
      Oryza sativa Japonica Group PlantCyc CPD-8158
      Panicum hallii PlantCyc CPD-8158
      Panicum virgatum PlantCyc CPD-8158
      Petunia axillaris PlantCyc CPD-8158
      Phaseolus vulgaris PlantCyc CPD-8158
      phospholipid desaturation PlantCyc CPD-8158
      Physcomitrella patens PlantCyc CPD-8158
      Populus trichocarpa PlantCyc CPD-8158
      Prunus persica PlantCyc CPD-8158
      Ricinus communis PlantCyc CPD-8158
      Rosa chinensis PlantCyc CPD-8158
      Rosa multiflora PlantCyc CPD-8158
      Salvia miltiorrhiza PlantCyc CPD-8158
      Selaginella moellendorffii PlantCyc CPD-8158
      Setaria italica PlantCyc CPD-8158
      Setaria viridis PlantCyc CPD-8158
      Solanum lycopersicum PlantCyc CPD-8158
      Solanum melongena PlantCyc CPD-8158
      Solanum pennellii PlantCyc CPD-8158
      Solanum tuberosum PlantCyc CPD-8158
      Sorghum bicolor PlantCyc CPD-8158
      Sphagnum fallax PlantCyc CPD-8158
      Spinacia oleracea PlantCyc CPD-8158
      Spirodela polyrhiza PlantCyc CPD-8158
      Thellungiella parvula PlantCyc CPD-8158
      Theobroma cacao PlantCyc CPD-8158
      Trifolium pratense PlantCyc CPD-8158
      Triticum aestivum PlantCyc CPD-8158
      Triticum urartu PlantCyc CPD-8158
      vernolate biosynthesis II PlantCyc CPD-8158
      Vitis vinifera PlantCyc CPD-8158
      Volvox carteri PlantCyc CPD-8158
      Zea mays subsp. mays PlantCyc CPD-8158
      Zostera marina PlantCyc CPD-8158

    • Bio Activity:

      1-palmitoyl-2-linoleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-palmitoyl-2-alpha-linolenoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-8158
      1-palmitoyl-2-linoleoyl-phosphatidylcholine + NADPH + H+ + oxygen -> 1-palmitoyl-2-vernoloyl-phosphatidylcholine + NADP+ + H2O PlantCyc CPD-8158
      1-palmitoyl-2-oleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-palmitoyl-2-linoleoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-8158

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.90
ACD/LogD (pH 5.5): 9.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5154214.50
ACD/LogD (pH 7.4): 9.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5154390.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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