Showing metabocard for PS(18:2(9Z,12Z)/18:2(9Z,12Z)) (MMDBc0056404)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-07-07 21:02:50 UTC
Update Date2024-04-30 20:55:45 UTC
Metabolite IDMMDBc0056404
Metabolite Identification
Common NamePS(18:2(9Z,12Z)/18:2(9Z,12Z))
DescriptionPS(18:2(9Z,12Z)/18:2(9Z,12Z)) is a phosphatidylserine (PS or GPSer). It is a glycerophospholipid in which a phosphorylserine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphoserines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PS(18:2(9Z,12Z)/18:2(9Z,12Z)), in particular, consists of one chain of linoleic acid at the C-1 position and one chain of linoleic acid at the C-2 position. The linoleic acid moiety is derived from seed oils, while the linoleic acid moiety is derived from seed oils. Phosphatidylserine or 1,2-diacyl-sn-glycero-3-phospho-L-serine is distributed widely among animals, plants and microorganisms. It is usually less than 10% of the total phospholipids, the greatest concentration being in myelin from brain tissue. However, it may comprise 10 to 20 mol% of the total phospholipid in the plasma membrane and endoplasmic reticulum of the cell. Phosphatidylserine is an acidic (anionic) phospholipid with three ionizable groups, i.e. the phosphate moiety, the amino group and the carboxyl function. As with other acidic lipids, it exists in nature in salt form, but it has a high propensity to chelate to calcium via the charged oxygen atoms of both the carboxyl and phosphate moieties, modifying the conformation of the polar head group. This interaction may be of considerable relevance to the biological function of phosphatidylserine, especially during bone formation for example. As phosphatidylserine is located entirely on the inner monolayer surface of the plasma membrane (and of other cellular membranes) and it is the most abundant anionic phospholipids. Therefore phosphatidylseriine may make the largest contribution to interfacial effects in membranes involving non-specific electrostatic interactions. This normal distribution is disturbed during platelet activation and cellular apoptosis. In human plasma, 1-stearoyl-2-oleoyl and 1-stearoyl-2-arachidonoyl species predominate, but in brain (especially grey matter), retina and many other tissues 1-stearoyl-2-docosahexaenoyl species are very abundant. Indeed, the ratio of n-3 to n-6 fatty acids in brain phosphatidylserine is very much higher than in most other lipids. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Phosphatidylserines typically carry a net charge of -1 at physiological pH. They mostly have palmitic or stearic acid on carbon 1 and a long chain unsaturated fatty acid (e.g. 18:2, 20:4 and 22:6) on carbon 2. PS biosynthesis involves an exchange reaction of serine for ethanolamine in PE.
Structure
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for #<Metabolite:0x00007fed153f3d88>

PS(18:2(9Z,12Z)/18:2(9Z,12Z))
  Mrv1652308101903032D          

 56 55  0  0  1  0            999 V2000
   21.1276   -3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2288   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5536   -4.5894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8784   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9038   -4.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2032   -4.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0267   -5.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5790   -4.1996    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.1892   -3.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9688   -4.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2541   -3.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9292   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6043   -3.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1413   -5.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3005   -3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0978   -3.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3005   -2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for #<Metabolite:0x00007fed153f3d88>

HMDB0012402
     RDKit          3D
PS(18:2(9Z,12Z)/18:2(9Z,12Z))
128127  0  0  0  0  0  0  0  0999 V2000
    1.2725   -4.7862    4.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108   -5.3158    5.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -6.4742    4.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536   -6.0944    3.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9658   -4.9608    3.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2716   -4.6444    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4287   -4.7029    1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376   -5.1422    1.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6628   -4.1019    1.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8518   -4.2490    1.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3719   -5.4505    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7350   -4.0198   -2.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0153    1.2698   -2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4611    2.3234   -1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5037    5.5782    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214    5.4406    0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    4.1241    1.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    3.9707    2.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    2.6190    2.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    2.2473    3.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375    2.3026    2.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0426    1.8646    3.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    2.5931    3.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2175    3.9843    3.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4699    4.0846    2.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    4.4621    1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5140    4.8675    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0536   -5.8959    2.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -6.9887    2.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826   -4.0342    3.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -5.2180    3.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140   -4.3160    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103   -4.4328   -0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9865   -6.0561    1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7980    3.2700   -1.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for #<Metabolite:0x00007fed153f3d88>

PS(18:2(9Z,12Z)/18:2(9Z,12Z))
  Mrv1652308101903032D          

 56 55  0  0  1  0            999 V2000
   21.1276   -3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2288   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5536   -4.5894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8784   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9038   -4.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2032   -4.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0267   -5.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5790   -4.1996    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.1892   -3.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9688   -4.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2541   -3.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9292   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6043   -3.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1413   -5.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3005   -3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0978   -3.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3005   -2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1079   -4.4925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4888   -4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4888   -3.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3464   -4.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2039   -4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4898   -4.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757   -4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9507   -4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2365   -4.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5224   -4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6973   -4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5549   -4.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3122   -5.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
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  3 14  1  1  0  0  0
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  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  6 19  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
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 13 18  1  0  0  0  0
 13  1  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 38  7  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0056404

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1

> <INCHI_KEY>
ZTNFQEXYTMNFHG-SOFXVBFTSA-N

> <FORMULA>
C42H74NO10P

> <MOLECULAR_WEIGHT>
784.0114

> <EXACT_MASS>
783.505034105

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
128

> <JCHEM_AVERAGE_POLARIZABILITY>
90.72233272071067

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid

> <ALOGPS_LOGP>
4.79

> <JCHEM_LOGP>
9.824094798899273

> <ALOGPS_LOGS>
-6.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.178396015655446

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4680339991787523

> <JCHEM_PKA_STRONGEST_BASIC>
9.376604467850063

> <JCHEM_POLAR_SURFACE_AREA>
171.68

> <JCHEM_REFRACTIVITY>
219.70420000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
40

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.43e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for #<Metabolite:0x00007fed153f3d88>

HMDB0012402
     RDKit          3D
PS(18:2(9Z,12Z)/18:2(9Z,12Z))
128127  0  0  0  0  0  0  0  0999 V2000
    1.2725   -4.7862    4.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108   -5.3158    5.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -6.4742    4.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536   -6.0944    3.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9658   -4.9608    3.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2716   -4.6444    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4287   -4.7029    1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376   -5.1422    1.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6628   -4.1019    1.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8518   -4.2490    1.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3719   -5.4505    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7911   -5.0207   -0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167   -4.4929   -1.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7350   -4.0198   -2.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4086   -3.5230   -3.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525   -2.3636   -2.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7328   -1.1235   -2.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1378   -0.0484   -1.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7054   -0.4169   -0.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0153    1.2698   -2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4611    2.3234   -1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645    2.3575   -1.1682 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2790    1.0756   -0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    1.2641   -1.1563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -0.2219   -0.8904 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.1249   -1.2920   -1.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8103    0.1864   -4.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636   -0.2395   -5.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5591    3.4131   -0.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7271   -1.4334   -2.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8479   -0.8407   -3.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9816    2.3996   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7980    3.2700   -1.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5478    0.3451   -1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214    0.6127    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0409   -1.3562   -3.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0756   -0.1879   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5776    6.5705   -0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116    5.6192    1.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6837    5.6327    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    6.2395    1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992    4.1411    2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806    3.2660    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238    4.1742    1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628    4.7306    2.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093    2.6071    3.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307    1.8825    1.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    2.7980    4.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5686    1.1743    3.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881    3.2243    2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    1.4446    1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    0.8277    3.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8164    2.1706    4.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3415    4.4597    2.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4182    4.5993    4.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3796    3.8014    3.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6561    4.4783    0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5622    4.7763    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6926    5.9212    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    2.9322   -0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3530    3.9866   -1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    3.8071   -2.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3113    4.3471   -1.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3279    5.9463   -2.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502    6.5958   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3679    7.2764   -3.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707    6.2948   -2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for #<Metabolite:0x00007fed153f3d88>

HEADER    PROTEIN                                 10-AUG-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: PS(18:2(9Z,12Z)/18:2(9Z,12Z))                     
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-AUG-19         0                                  
HETATM    1  H   UNK     0      39.438  -5.837   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      34.027  -7.839   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      32.767  -8.567   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      31.506  -7.839   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      35.287  -8.567   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      30.246  -8.567   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      31.783 -10.022   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      36.547  -7.839   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      35.820  -6.579   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      37.275  -9.100   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      37.808  -7.112   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      39.068  -7.839   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      40.328  -7.112   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0      33.864 -10.078   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0      41.628  -5.967   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      43.116  -6.829   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      41.628  -4.390   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      41.268  -8.386   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      28.912  -7.797   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      28.912  -6.357   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      27.579  -8.568   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      26.246  -7.797   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      24.913  -8.568   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.580  -7.797   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      22.247  -8.568   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.914  -7.797   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.581  -8.568   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.248  -7.797   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      16.708  -7.797   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.375  -8.568   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.042  -7.797   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.502  -7.797   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.169  -8.568   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.836  -7.797   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.503  -8.568   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.169  -7.797   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.836  -8.568   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      30.449 -10.792   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      30.449 -12.232   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      29.116 -10.021   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      27.783 -10.792   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      26.450 -10.021   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      25.117 -10.792   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      23.784 -10.021   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      22.451 -10.792   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      21.118 -10.021   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      19.785 -10.792   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      18.245 -10.792   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      16.912 -10.021   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      15.579 -10.792   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      14.039 -10.792   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      12.706 -10.021   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      11.373 -10.792   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      10.040 -10.021   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       8.707 -10.792   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       7.373 -10.021   0.000  0.00  0.00           C+0
CONECT    1   13                                                            
CONECT    2    3    5                                                       
CONECT    3    2    7   14    4                                             
CONECT    4    3    6                                                       
CONECT    5    2    8                                                       
CONECT    6    4   19                                                       
CONECT    7    3   38                                                       
CONECT    8    5    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   15   18    1                                             
CONECT   14    3                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13                                                            
CONECT   19    6   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38    7   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  110    0
END
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3D PDB for #<Metabolite:0x00007fed153f3d88>

COMPND    HMDB0012402
HETATM    1  C1  UNL     1       1.273  -4.786   4.629  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.011  -5.316   5.250  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.591  -6.474   4.491  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.954  -6.094   3.070  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.966  -4.961   3.036  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.272  -4.644   1.644  1.00  0.00           C  
HETATM    7  C7  UNL     1      -3.429  -4.703   1.039  1.00  0.00           C  
HETATM    8  C8  UNL     1      -4.638  -5.142   1.806  1.00  0.00           C  
HETATM    9  C9  UNL     1      -5.663  -4.102   1.843  1.00  0.00           C  
HETATM   10  C10 UNL     1      -6.852  -4.249   1.374  1.00  0.00           C  
HETATM   11  C11 UNL     1      -7.372  -5.450   0.739  1.00  0.00           C  
HETATM   12  C12 UNL     1      -7.791  -5.021  -0.691  1.00  0.00           C  
HETATM   13  C13 UNL     1      -6.517  -4.493  -1.313  1.00  0.00           C  
HETATM   14  C14 UNL     1      -6.735  -4.020  -2.747  1.00  0.00           C  
HETATM   15  C15 UNL     1      -5.409  -3.523  -3.283  1.00  0.00           C  
HETATM   16  C16 UNL     1      -4.852  -2.364  -2.508  1.00  0.00           C  
HETATM   17  C17 UNL     1      -5.733  -1.123  -2.557  1.00  0.00           C  
HETATM   18  C18 UNL     1      -5.138  -0.048  -1.712  1.00  0.00           C  
HETATM   19  O1  UNL     1      -4.705  -0.417  -0.571  1.00  0.00           O  
HETATM   20  O2  UNL     1      -5.015   1.270  -2.049  1.00  0.00           O  
HETATM   21  C19 UNL     1      -4.461   2.323  -1.349  1.00  0.00           C  
HETATM   22  C20 UNL     1      -2.964   2.358  -1.168  1.00  0.00           C  
HETATM   23  C21 UNL     1      -2.279   1.076  -0.926  1.00  0.00           C  
HETATM   24  O3  UNL     1      -0.883   1.264  -1.156  1.00  0.00           O  
HETATM   25  P1  UNL     1      -0.106  -0.222  -0.890  1.00  0.00           P  
HETATM   26  O4  UNL     1      -1.125  -1.292  -1.229  1.00  0.00           O  
HETATM   27  O5  UNL     1       0.146  -0.362   0.786  1.00  0.00           O  
HETATM   28  O6  UNL     1       1.332  -0.411  -1.667  1.00  0.00           O  
HETATM   29  C22 UNL     1       1.418  -0.005  -2.968  1.00  0.00           C  
HETATM   30  C23 UNL     1       2.790  -0.271  -3.563  1.00  0.00           C  
HETATM   31  N1  UNL     1       3.842   0.423  -2.844  1.00  0.00           N  
HETATM   32  C24 UNL     1       2.810   0.186  -4.972  1.00  0.00           C  
HETATM   33  O7  UNL     1       1.964  -0.239  -5.791  1.00  0.00           O  
HETATM   34  O8  UNL     1       3.762   1.087  -5.403  1.00  0.00           O  
HETATM   35  O9  UNL     1      -2.559   3.413  -0.358  1.00  0.00           O  
HETATM   36  C25 UNL     1      -1.879   4.514  -0.778  1.00  0.00           C  
HETATM   37  O10 UNL     1      -1.570   4.626  -1.979  1.00  0.00           O  
HETATM   38  C26 UNL     1      -1.504   5.578   0.169  1.00  0.00           C  
HETATM   39  C27 UNL     1      -0.121   5.441   0.750  1.00  0.00           C  
HETATM   40  C28 UNL     1       0.033   4.124   1.469  1.00  0.00           C  
HETATM   41  C29 UNL     1       1.392   3.971   2.096  1.00  0.00           C  
HETATM   42  C30 UNL     1       1.443   2.619   2.728  1.00  0.00           C  
HETATM   43  C31 UNL     1       2.679   2.247   3.440  1.00  0.00           C  
HETATM   44  C32 UNL     1       3.938   2.303   2.608  1.00  0.00           C  
HETATM   45  C33 UNL     1       5.043   1.865   3.481  1.00  0.00           C  
HETATM   46  C34 UNL     1       6.056   2.593   3.821  1.00  0.00           C  
HETATM   47  C35 UNL     1       6.218   3.984   3.360  1.00  0.00           C  
HETATM   48  C36 UNL     1       7.470   4.085   2.592  1.00  0.00           C  
HETATM   49  C37 UNL     1       7.632   4.462   1.358  1.00  0.00           C  
HETATM   50  C38 UNL     1       6.514   4.868   0.508  1.00  0.00           C  
HETATM   51  C39 UNL     1       6.406   3.988  -0.744  1.00  0.00           C  
HETATM   52  C40 UNL     1       5.248   4.432  -1.609  1.00  0.00           C  
HETATM   53  C41 UNL     1       5.400   5.870  -2.067  1.00  0.00           C  
HETATM   54  C42 UNL     1       4.202   6.239  -2.948  1.00  0.00           C  
HETATM   55  H1  UNL     1       1.801  -5.544   4.017  1.00  0.00           H  
HETATM   56  H2  UNL     1       1.023  -3.892   4.021  1.00  0.00           H  
HETATM   57  H3  UNL     1       2.004  -4.433   5.390  1.00  0.00           H  
HETATM   58  H4  UNL     1      -0.733  -4.518   5.447  1.00  0.00           H  
HETATM   59  H5  UNL     1       0.299  -5.706   6.258  1.00  0.00           H  
HETATM   60  H6  UNL     1       0.169  -7.278   4.427  1.00  0.00           H  
HETATM   61  H7  UNL     1      -1.426  -6.872   5.065  1.00  0.00           H  
HETATM   62  H8  UNL     1      -0.054  -5.896   2.465  1.00  0.00           H  
HETATM   63  H9  UNL     1      -1.459  -6.989   2.639  1.00  0.00           H  
HETATM   64  H10 UNL     1      -1.483  -4.034   3.489  1.00  0.00           H  
HETATM   65  H11 UNL     1      -2.769  -5.218   3.706  1.00  0.00           H  
HETATM   66  H12 UNL     1      -1.414  -4.316   1.025  1.00  0.00           H  
HETATM   67  H13 UNL     1      -3.510  -4.433  -0.022  1.00  0.00           H  
HETATM   68  H14 UNL     1      -4.401  -5.544   2.808  1.00  0.00           H  
HETATM   69  H15 UNL     1      -4.987  -6.056   1.238  1.00  0.00           H  
HETATM   70  H16 UNL     1      -5.358  -3.139   2.313  1.00  0.00           H  
HETATM   71  H17 UNL     1      -7.543  -3.391   1.459  1.00  0.00           H  
HETATM   72  H18 UNL     1      -8.353  -5.724   1.213  1.00  0.00           H  
HETATM   73  H19 UNL     1      -6.722  -6.296   0.598  1.00  0.00           H  
HETATM   74  H20 UNL     1      -8.592  -4.274  -0.667  1.00  0.00           H  
HETATM   75  H21 UNL     1      -8.112  -5.954  -1.214  1.00  0.00           H  
HETATM   76  H22 UNL     1      -6.171  -3.651  -0.652  1.00  0.00           H  
HETATM   77  H23 UNL     1      -5.778  -5.303  -1.276  1.00  0.00           H  
HETATM   78  H24 UNL     1      -7.511  -3.263  -2.817  1.00  0.00           H  
HETATM   79  H25 UNL     1      -7.018  -4.903  -3.348  1.00  0.00           H  
HETATM   80  H26 UNL     1      -5.410  -3.338  -4.363  1.00  0.00           H  
HETATM   81  H27 UNL     1      -4.687  -4.367  -3.125  1.00  0.00           H  
HETATM   82  H28 UNL     1      -3.858  -2.140  -3.018  1.00  0.00           H  
HETATM   83  H29 UNL     1      -4.690  -2.612  -1.451  1.00  0.00           H  
HETATM   84  H30 UNL     1      -6.727  -1.433  -2.181  1.00  0.00           H  
HETATM   85  H31 UNL     1      -5.848  -0.841  -3.615  1.00  0.00           H  
HETATM   86  H32 UNL     1      -4.982   2.400  -0.345  1.00  0.00           H  
HETATM   87  H33 UNL     1      -4.798   3.270  -1.873  1.00  0.00           H  
HETATM   88  H34 UNL     1      -2.595   2.678  -2.220  1.00  0.00           H  
HETATM   89  H35 UNL     1      -2.548   0.345  -1.712  1.00  0.00           H  
HETATM   90  H36 UNL     1      -2.421   0.613   0.057  1.00  0.00           H  
HETATM   91  H37 UNL     1      -0.677  -0.098   1.281  1.00  0.00           H  
HETATM   92  H38 UNL     1       0.627  -0.348  -3.647  1.00  0.00           H  
HETATM   93  H39 UNL     1       1.343   1.124  -2.949  1.00  0.00           H  
HETATM   94  H40 UNL     1       3.041  -1.356  -3.512  1.00  0.00           H  
HETATM   95  H41 UNL     1       4.698   0.361  -3.470  1.00  0.00           H  
HETATM   96  H42 UNL     1       4.076  -0.188  -2.007  1.00  0.00           H  
HETATM   97  H43 UNL     1       3.606   1.975  -5.822  1.00  0.00           H  
HETATM   98  H44 UNL     1      -1.578   6.570  -0.314  1.00  0.00           H  
HETATM   99  H45 UNL     1      -2.212   5.619   1.047  1.00  0.00           H  
HETATM  100  H46 UNL     1       0.684   5.633   0.029  1.00  0.00           H  
HETATM  101  H47 UNL     1      -0.041   6.240   1.536  1.00  0.00           H  
HETATM  102  H48 UNL     1      -0.699   4.141   2.331  1.00  0.00           H  
HETATM  103  H49 UNL     1      -0.281   3.266   0.850  1.00  0.00           H  
HETATM  104  H50 UNL     1       2.224   4.174   1.404  1.00  0.00           H  
HETATM  105  H51 UNL     1       1.463   4.731   2.902  1.00  0.00           H  
HETATM  106  H52 UNL     1       0.609   2.607   3.494  1.00  0.00           H  
HETATM  107  H53 UNL     1       1.131   1.883   1.964  1.00  0.00           H  
HETATM  108  H54 UNL     1       2.859   2.798   4.381  1.00  0.00           H  
HETATM  109  H55 UNL     1       2.569   1.174   3.765  1.00  0.00           H  
HETATM  110  H56 UNL     1       4.088   3.224   2.059  1.00  0.00           H  
HETATM  111  H57 UNL     1       3.815   1.445   1.865  1.00  0.00           H  
HETATM  112  H58 UNL     1       4.984   0.828   3.868  1.00  0.00           H  
HETATM  113  H59 UNL     1       6.816   2.171   4.470  1.00  0.00           H  
HETATM  114  H60 UNL     1       5.341   4.460   2.935  1.00  0.00           H  
HETATM  115  H61 UNL     1       6.418   4.599   4.319  1.00  0.00           H  
HETATM  116  H62 UNL     1       8.380   3.801   3.150  1.00  0.00           H  
HETATM  117  H63 UNL     1       8.656   4.478   0.929  1.00  0.00           H  
HETATM  118  H64 UNL     1       5.562   4.776   1.013  1.00  0.00           H  
HETATM  119  H65 UNL     1       6.693   5.921   0.127  1.00  0.00           H  
HETATM  120  H66 UNL     1       6.175   2.932  -0.450  1.00  0.00           H  
HETATM  121  H67 UNL     1       7.353   3.987  -1.310  1.00  0.00           H  
HETATM  122  H68 UNL     1       5.230   3.807  -2.516  1.00  0.00           H  
HETATM  123  H69 UNL     1       4.311   4.347  -1.031  1.00  0.00           H  
HETATM  124  H70 UNL     1       6.328   5.946  -2.651  1.00  0.00           H  
HETATM  125  H71 UNL     1       5.350   6.596  -1.223  1.00  0.00           H  
HETATM  126  H72 UNL     1       4.044   5.508  -3.746  1.00  0.00           H  
HETATM  127  H73 UNL     1       4.368   7.276  -3.356  1.00  0.00           H  
HETATM  128  H74 UNL     1       3.271   6.295  -2.352  1.00  0.00           H  
CONECT    1    2   55   56   57
CONECT    2    3   58   59
CONECT    3    4   60   61
CONECT    4    5   62   63
CONECT    5    6   64   65
CONECT    6    7    7   66
CONECT    7    8   67
CONECT    8    9   68   69
CONECT    9   10   10   70
CONECT   10   11   71
CONECT   11   12   72   73
CONECT   12   13   74   75
CONECT   13   14   76   77
CONECT   14   15   78   79
CONECT   15   16   80   81
CONECT   16   17   82   83
CONECT   17   18   84   85
CONECT   18   19   19   20
CONECT   20   21
CONECT   21   22   86   87
CONECT   22   23   35   88
CONECT   23   24   89   90
CONECT   24   25
CONECT   25   26   26   27   28
CONECT   27   91
CONECT   28   29
CONECT   29   30   92   93
CONECT   30   31   32   94
CONECT   31   95   96
CONECT   32   33   33   34
CONECT   34   97
CONECT   35   36
CONECT   36   37   37   38
CONECT   38   39   98   99
CONECT   39   40  100  101
CONECT   40   41  102  103
CONECT   41   42  104  105
CONECT   42   43  106  107
CONECT   43   44  108  109
CONECT   44   45  110  111
CONECT   45   46   46  112
CONECT   46   47  113
CONECT   47   48  114  115
CONECT   48   49   49  116
CONECT   49   50  117
CONECT   50   51  118  119
CONECT   51   52  120  121
CONECT   52   53  122  123
CONECT   53   54  124  125
CONECT   54  126  127  128
END
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SMILES for #<Metabolite:0x00007fed153f3d88>

[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O
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INCHI for #<Metabolite:0x00007fed153f3d88>

InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
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Synonyms
ValueSource
1,2-Dilinoleoyl-rac-glycero-3-phosphoserineHMDB
Phosphatidylserine(18:2/18:2)HMDB
Phosphatidylserine(18:2n6/18:2n6)HMDB
Phosphatidylserine(18:2W6/18:2W6)HMDB
Phosphatidylserine(36:4)HMDB
PS(18:2/18:2)HMDB
PS(18:2N6/18:2N6)HMDB
PS(18:2W6/18:2W6)HMDB
PS(36:4)HMDB
pSer(18:2/18:2)HMDB
pSer(18:2n6/18:2n6)HMDB
pSer(18:2W6/18:2W6)HMDB
pSer(36:4)HMDB
1,2-Di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phosphoserineHMDB
PS(18:2(9Z,12Z)/18:2(9Z,12Z))Lipid Annotator
Molecular FormulaC42H74NO10P
Average Mass784.0114
Monoisotopic Mass783.505034105
IUPAC Name(2S)-2-amino-3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
Traditional Name(2S)-2-amino-3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O
InChI Identifier
InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
InChI KeyZTNFQEXYTMNFHG-SOFXVBFTSA-N