ChemSpider 2D Image | MFCD00135289 | C44H80NO8P

MFCD00135289

  • Molecular FormulaC44H80NO8P
  • Average mass782.082 Da
  • Monoisotopic mass781.562134 Da
  • ChemSpider ID4450312

  • 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)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
(7R,18Z,21Z)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3,5,9-trioxa-4-phosphaheptacosa-18,21-dien-1-aminium 4-oxide, inner salt
1,2-Di(cis-9,12-octadecadienoyl)-sn-glycero-3-phosphocholine
1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
1,2-Dilinoleoyl-sn-3-glycerophosphorylcholine
1,2-Dilinoleoyl-sn-glycero-3-phosphocholine
213-647-0 [EINECS]
3-sn-Phosphatidylcholine, 1,2-dilinoleoyl
998-06-1 [RN]
More...

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

5212188 [DBID]
7L874P1M1O [DBID]
FEMA No. 2364 [DBID]
LMGP01010937 [DBID]
UNII:7L874P1M1O [DBID]
UNII-7L874P1M1O [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as linoleoyl [(9<stereo>Z</stereo>,12<stereo>Z</stereo>)-octadeca-9,12-dienoyl]. ChEBI CHEBI:86129, CHEBI:42027
      A 1,2-di-octadecadienoyl-<ital>sn</ital>-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as (9<stereo>Z</stereo>,12<stereo>Z</stereo>)-octadecadienoyl. ChEBI CHEBI:86129, CHEBI:42027
      A 1,2-di-octadecadienoyl-sn-glycero-3-phosphocholine in which the double bonds in each fatty acyl group are at positions 9 and 12 and have Z configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42027, CHEBI:42027

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-2182
      Amaranthus hypochondriacus PlantCyc CPD-2182
      Amborella trichopoda PlantCyc CPD-2182
      Anacardium occidentale PlantCyc CPD-2182
      Ananas comosus PlantCyc CPD-2182
      Aquilegia coerulea PlantCyc CPD-2182
      Arabidopsis halleri PlantCyc CPD-2182
      Arabidopsis lyrata PlantCyc CPD-2182
      Arabidopsis thaliana col PlantCyc CPD-2182
      Asparagus officinalis PlantCyc CPD-2182
      Beta vulgaris subsp. vulgaris PlantCyc CPD-2182
      Boechera stricta PlantCyc CPD-2182
      Brachypodium distachyon PlantCyc CPD-2182
      Brassica napus PlantCyc CPD-2182
      Brassica oleracea var. capitata PlantCyc CPD-2182
      Brassica oleracea var. oleracea PlantCyc CPD-2182
      Brassica rapa FPsc PlantCyc CPD-2182
      Brassica rapa subsp. pekinensis PlantCyc CPD-2182
      Calotropis gigantea PlantCyc CPD-2182
      Camptotheca acuminata PlantCyc CPD-2182
      Cannabis sativa PlantCyc CPD-2182
      Capsella grandiflora PlantCyc CPD-2182
      Capsella rubella PlantCyc CPD-2182
      Capsicum annuum PlantCyc CPD-2182
      Carica papaya PlantCyc CPD-2182
      Catharanthus roseus PlantCyc CPD-2182
      Chenopodium quinoa PlantCyc CPD-2182
      Chromochloris zofingiensis PlantCyc CPD-2182
      Cicer arietinum PlantCyc CPD-2182
      Citrus clementina PlantCyc CPD-2182
      Citrus sinensis PlantCyc CPD-2182
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-2182
      Corchorus capsularis PlantCyc CPD-2182
      Cucumis sativus PlantCyc CPD-2182
      Daucus carota subsp. sativus PlantCyc CPD-2182
      Dianthus caryophyllus PlantCyc CPD-2182
      Dioscorea rotundata PlantCyc CPD-2182
      Eucalyptus grandis PlantCyc CPD-2182
      Eutrema salsugineum PlantCyc CPD-2182
      Fragaria vesca subsp. vesca PlantCyc CPD-2182
      Glycine max PlantCyc CPD-2182
      Gossypium raimondii PlantCyc CPD-2182
      Helianthus annuus PlantCyc CPD-2182
      Hordeum vulgare subsp. vulgare PlantCyc CPD-2182
      Humulus lupulus var. lupulus PlantCyc CPD-2182
      Kalanchoe fedtschenkoi PlantCyc CPD-2182
      Leersia perrieri PlantCyc CPD-2182
      Linum usitatissimum PlantCyc CPD-2182
      Lotus japonicus PlantCyc CPD-2182
      Malus domestica PlantCyc CPD-2182
      Manihot esculenta PlantCyc CPD-2182
      Marchantia polymorpha PlantCyc CPD-2182
      Medicago truncatula PlantCyc CPD-2182
      Mimulus guttatus PlantCyc CPD-2182
      Miscanthus sinensis PlantCyc CPD-2182
      Musa acuminata PlantCyc CPD-2182
      Nicotiana tabacum PlantCyc CPD-2182
      Olea europaea var. sylvestris PlantCyc CPD-2182
      Oryza brachyantha PlantCyc CPD-2182
      Oryza glaberrima PlantCyc CPD-2182
      Oryza punctata PlantCyc CPD-2182
      Oryza rufipogon PlantCyc CPD-2182
      Oryza sativa Japonica Group PlantCyc CPD-2182
      Panicum hallii PlantCyc CPD-2182
      Panicum virgatum PlantCyc CPD-2182
      Petunia axillaris PlantCyc CPD-2182
      Phaseolus vulgaris PlantCyc CPD-2182
      phospholipid desaturation PlantCyc CPD-2182
      Physcomitrella patens PlantCyc CPD-2182
      Populus trichocarpa PlantCyc CPD-2182
      Prunus persica PlantCyc CPD-2182
      Ricinus communis PlantCyc CPD-2182
      Rosa chinensis PlantCyc CPD-2182
      Rosa multiflora PlantCyc CPD-2182
      Salvia miltiorrhiza PlantCyc CPD-2182
      Selaginella moellendorffii PlantCyc CPD-2182
      Setaria italica PlantCyc CPD-2182
      Setaria viridis PlantCyc CPD-2182
      Solanum lycopersicum PlantCyc CPD-2182
      Solanum melongena PlantCyc CPD-2182
      Solanum pennellii PlantCyc CPD-2182
      Solanum tuberosum PlantCyc CPD-2182
      Sorghum bicolor PlantCyc CPD-2182
      Sphagnum fallax PlantCyc CPD-2182
      Spinacia oleracea PlantCyc CPD-2182
      Spirodela polyrhiza PlantCyc CPD-2182
      Thellungiella parvula PlantCyc CPD-2182
      Theobroma cacao PlantCyc CPD-2182
      Trifolium pratense PlantCyc CPD-2182
      Triticum aestivum PlantCyc CPD-2182
      Triticum urartu PlantCyc CPD-2182
      Vitis vinifera PlantCyc CPD-2182
      Volvox carteri PlantCyc CPD-2182
      Zea mays subsp. mays PlantCyc CPD-2182
      Zostera marina PlantCyc CPD-2182

    • Bio Activity:

      1-linoleoyl-2-linoleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-alpha-linolenoyl-2-linoleoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-2182
      1-linoleoyl-2-linoleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-linoleoyl-2-alpha-linolenoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-2182
      1-linoleoyl-2-oleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-linoleoyl-2-linoleoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-2182
      1-oleoyl-2-linoleoyl-phosphatidylcholine + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 1-linoleoyl-2-linoleoyl-phosphatidylcholine + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-2182

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: 10.93
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1749195.63
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1749255.13
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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