ChemSpider 2D Image | 1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine | C44H80NO8P

1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC44H80NO8P
  • Average mass782.082 Da
  • Monoisotopic mass781.562134 Da
  • ChemSpider ID24766865

  • 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)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-3-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-&α
1-&α;-linolenoyl-2-oleoyl-phosphatidylcholine
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
1-18:3-2-18:1-phosphatidylcholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9<stereo>Z</stereo>,12<stereo>Z</stereo>,15<stereo>Z</stereo>)-octadecatrienoyl and (9<stereo>Z</stereo>)-octade cenoyl respectively. ChEBI CHEBI:86127
      A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z,15Z)-octadecatrienoyl and (9Z)-octade; cenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86127
      A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z,15Z)-octadecatrienoyl and (9Z)-octadecenoyl respectively. ChEBI CHEBI:86127

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-8089
      Amaranthus hypochondriacus PlantCyc CPD-8089
      Amborella trichopoda PlantCyc CPD-8089
      Anacardium occidentale PlantCyc CPD-8089
      Ananas comosus PlantCyc CPD-8089
      Aquilegia coerulea PlantCyc CPD-8089
      Arabidopsis halleri PlantCyc CPD-8089
      Arabidopsis lyrata PlantCyc CPD-8089
      Arabidopsis thaliana col PlantCyc CPD-8089
      Asparagus officinalis PlantCyc CPD-8089
      Beta vulgaris subsp. vulgaris PlantCyc CPD-8089
      Boechera stricta PlantCyc CPD-8089
      Brachypodium distachyon PlantCyc CPD-8089
      Brassica napus PlantCyc CPD-8089
      Brassica oleracea var. capitata PlantCyc CPD-8089
      Brassica oleracea var. oleracea PlantCyc CPD-8089
      Brassica rapa FPsc PlantCyc CPD-8089
      Brassica rapa subsp. pekinensis PlantCyc CPD-8089
      Calotropis gigantea PlantCyc CPD-8089
      Camptotheca acuminata PlantCyc CPD-8089
      Cannabis sativa PlantCyc CPD-8089
      Capsella grandiflora PlantCyc CPD-8089
      Capsella rubella PlantCyc CPD-8089
      Capsicum annuum PlantCyc CPD-8089
      Carica papaya PlantCyc CPD-8089
      Catharanthus roseus PlantCyc CPD-8089
      Chenopodium quinoa PlantCyc CPD-8089
      Chromochloris zofingiensis PlantCyc CPD-8089
      Cicer arietinum PlantCyc CPD-8089
      Citrus clementina PlantCyc CPD-8089
      Citrus sinensis PlantCyc CPD-8089
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-8089
      Corchorus capsularis PlantCyc CPD-8089
      Cucumis sativus PlantCyc CPD-8089
      Daucus carota subsp. sativus PlantCyc CPD-8089
      Dianthus caryophyllus PlantCyc CPD-8089
      Dioscorea rotundata PlantCyc CPD-8089
      Eucalyptus grandis PlantCyc CPD-8089
      Eutrema salsugineum PlantCyc CPD-8089
      Fragaria vesca subsp. vesca PlantCyc CPD-8089
      Glycine max PlantCyc CPD-8089
      Gossypium raimondii PlantCyc CPD-8089
      Helianthus annuus PlantCyc CPD-8089
      Hordeum vulgare subsp. vulgare PlantCyc CPD-8089
      Humulus lupulus var. lupulus PlantCyc CPD-8089
      Kalanchoe fedtschenkoi PlantCyc CPD-8089
      Leersia perrieri PlantCyc CPD-8089
      Linum usitatissimum PlantCyc CPD-8089
      Lotus japonicus PlantCyc CPD-8089
      Malus domestica PlantCyc CPD-8089
      Manihot esculenta PlantCyc CPD-8089
      Marchantia polymorpha PlantCyc CPD-8089
      Medicago truncatula PlantCyc CPD-8089
      Mimulus guttatus PlantCyc CPD-8089
      Miscanthus sinensis PlantCyc CPD-8089
      Musa acuminata PlantCyc CPD-8089
      Nicotiana tabacum PlantCyc CPD-8089
      Olea europaea var. sylvestris PlantCyc CPD-8089
      Oryza brachyantha PlantCyc CPD-8089
      Oryza glaberrima PlantCyc CPD-8089
      Oryza punctata PlantCyc CPD-8089
      Oryza rufipogon PlantCyc CPD-8089
      Oryza sativa Japonica Group PlantCyc CPD-8089
      Panicum hallii PlantCyc CPD-8089
      Panicum virgatum PlantCyc CPD-8089
      Petunia axillaris PlantCyc CPD-8089
      Phaseolus vulgaris PlantCyc CPD-8089
      phospholipid desaturation PlantCyc CPD-8089
      Physcomitrella patens PlantCyc CPD-8089
      Populus trichocarpa PlantCyc CPD-8089
      Prunus persica PlantCyc CPD-8089
      Ricinus communis PlantCyc CPD-8089
      Rosa chinensis PlantCyc CPD-8089
      Rosa multiflora PlantCyc CPD-8089
      Salvia miltiorrhiza PlantCyc CPD-8089
      Selaginella moellendorffii PlantCyc CPD-8089
      Setaria italica PlantCyc CPD-8089
      Setaria viridis PlantCyc CPD-8089
      Solanum lycopersicum PlantCyc CPD-8089
      Solanum melongena PlantCyc CPD-8089
      Solanum pennellii PlantCyc CPD-8089
      Solanum tuberosum PlantCyc CPD-8089
      Sorghum bicolor PlantCyc CPD-8089
      Sphagnum fallax PlantCyc CPD-8089
      Spinacia oleracea PlantCyc CPD-8089
      Spirodela polyrhiza PlantCyc CPD-8089
      Thellungiella parvula PlantCyc CPD-8089
      Theobroma cacao PlantCyc CPD-8089
      Trifolium pratense PlantCyc CPD-8089
      Triticum aestivum PlantCyc CPD-8089
      Triticum urartu PlantCyc CPD-8089
      Vitis vinifera PlantCyc CPD-8089
      Volvox carteri PlantCyc CPD-8089
      Zea mays subsp. mays PlantCyc CPD-8089
      Zostera marina PlantCyc CPD-8089

    • Bio Activity:

      1-alpha-linolenoyl-2-oleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-alpha-linolenoyl-2-linoleoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-8089
      1-linoleoyl-2-oleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-alpha-linolenoyl-2-oleoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-8089

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: 10.77
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2434588.00
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2434671.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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