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Showing metabocard for PS(15:0/LTE4) (HMDB0281040)

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Record Information
Version5.0
StatusPredicted
Creation Date2021-09-13 15:53:20 UTC
Update Date2022-11-30 20:02:58 UTC
HMDB IDHMDB0281040
Secondary Accession NumbersNone
Metabolite Identification
Common NamePS(15:0/LTE4)
DescriptionPS(15:0/LTE4) is an oxidized phosphatidylserine (PS). Oxidized phosphatidylserines are glycerophospholipids in which a phosphorylserine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylserines belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396 ). As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PS(15:0/LTE4), in particular, consists of one chain of one pentadecanoyl at the C-1 position and one chain of Leukotriene E4 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PSs can be synthesized via three different routes. In one route, the oxidized PS is synthetized de novo following the same mechanisms as for PSs but incorporating oxidized acyl chains (PMID: 33329396 ). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396 ). The third pathway results from the oxidation of the acyl chain while still attached to the PS backbone, mainly through the action of LOX (PMID: 33329396 ).
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0281040 (PS(15:0/LTE4))

  Mrv1652309132117532D          

 61 60  0  0  1  0            999 V2000
   14.5600  -13.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7722  -14.0537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5904  -14.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1964  -15.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0146  -16.2229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.8193  -16.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2099  -16.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328  -17.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4388  -17.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2570  -18.3921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4692  -18.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8632  -18.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0754  -18.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8936  -19.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4694  -17.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6816  -18.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0756  -17.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2878  -17.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0446  -19.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6506  -19.5817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3784  -13.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3480  -12.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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 10 29  1  6  0  0  0
 29 30  1  0  0  0  0
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  2 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  2  0  0  0  0
M  END
Download

3D MOL for HMDB0281040 (PS(15:0/LTE4))

HMDB0281040
     RDKit          3D
PS(15:0/LTE4)
138137  0  0  0  0  0  0  0  0999 V2000
  -17.2273    4.0476   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3752    2.9826    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0803    3.5877    0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2613    2.5342    1.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9160    1.3573    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1613    1.8073   -0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9585    1.3923   -0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2021    0.4144   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8782   -0.7809   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6657   -1.1813   -1.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5151   -0.4836   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2729   -0.9049   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1023   -0.2194   -0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9122   -0.6504   -0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6293   -0.0183   -0.2582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2279   -1.1720   -0.3898 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772   -1.4459   -2.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710   -2.3497   -2.1571 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8861   -3.6297   -1.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5003   -1.7721   -1.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849   -0.5430   -1.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090   -2.5944   -0.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709   -2.1031    0.2775 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8019   -2.1432   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5958   -1.6057    0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9541   -1.3661    0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572   -1.6438   -0.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659   -0.7950    1.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8150    2.3346    1.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9187    1.7599    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4172    3.2997   -3.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9569    1.8833   -3.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1088    1.4370   -4.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892   -3.0136    1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7898    2.6808    1.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2410    2.5614    2.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6537    1.9299    3.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1905    3.1273    1.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7474    4.3912   -1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4249    4.8478    0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2259    3.5887   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9111    2.5553    1.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2140    2.2053   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5373    4.0421   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3009    4.4410    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7809    2.1203    2.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3326    3.0235    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4518    0.6070    1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8946    0.8945    0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6670    2.5452   -1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5050    1.8042   -1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6625    0.1559    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2613    0.9554    0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7658   -1.3130   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5721   -2.0701   -1.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5445    0.3813   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1648   -1.7664   -1.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2032    0.6483    0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8021   -1.5152   -1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7679    0.1767    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4845   -0.5179   -2.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5818   -1.9335   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086   -2.4925   -3.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6634   -3.6839   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9004   -3.8764   -1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1659   -1.0478    0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379   -3.1764   -0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
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 61138  1  0
M  END
Download

3D SDF for HMDB0281040 (PS(15:0/LTE4))

  Mrv1652309132117532D          

 61 60  0  0  1  0            999 V2000
   14.5600  -13.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7722  -14.0537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5904  -14.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1964  -15.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0146  -16.2229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.8193  -16.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2099  -16.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328  -17.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4388  -17.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2570  -18.3921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.0446  -19.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
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  2 59  1  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0281040

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC)[C@@H](O)CCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C44H77N2O13PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-40(39(47)28-27-30-41(48)49)61-35-38(46)44(53)59-36(33-57-60(54,55)58-34-37(45)43(51)52)32-56-42(50)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,25,29,36-40,47H,3-10,12,14-16,18,20,22,24,26-28,30-35,45-46H2,1-2H3,(H,48,49)(H,51,52)(H,54,55)/b13-11-,19-17-,23-21+,29-25+/t36-,37+,38+,39+,40-/m1/s1

> <INCHI_KEY>
CGLYUHSTEHLHRP-VHNMEOPISA-N

> <FORMULA>
C44H77N2O13PS

> <MOLECULAR_WEIGHT>
905.13

> <EXACT_MASS>
904.488398719

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
138

> <JCHEM_AVERAGE_POLARIZABILITY>
101.5039127097685

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2-amino-2-carboxyethoxy](hydroxy)phosphoryl}oxy)-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

> <ALOGPS_LOGP>
2.05

> <JCHEM_LOGP>
3.5762137117280504

> <ALOGPS_LOGS>
-6.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.174694788413196

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4671336243400965

> <JCHEM_PKA_STRONGEST_BASIC>
9.378547746990785

> <JCHEM_POLAR_SURFACE_AREA>
255.23

> <JCHEM_REFRACTIVITY>
242.7689000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
43

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.49e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-{[(2S)-2-amino-2-carboxyethoxy(hydroxy)phosphoryl]oxy}-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0281040 (PS(15:0/LTE4))

HMDB0281040
     RDKit          3D
PS(15:0/LTE4)
138137  0  0  0  0  0  0  0  0999 V2000
  -17.2273    4.0476   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3752    2.9826    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0803    3.5877    0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2613    2.5342    1.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for HMDB0281040 (PS(15:0/LTE4))

HEADER    PROTEIN                                 13-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-SEP-21         0                                  
HETATM    1  N   UNK     0      27.179 -25.776   0.000  0.00  0.00           N+0
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HETATM   28  C   UNK     0       4.328 -30.087   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      27.744 -35.377   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      29.215 -34.920   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      29.554 -33.418   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      30.346 -35.965   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      30.007 -37.467   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      31.817 -35.508   0.000  0.00  0.00           C+0
HETATM   35  S   UNK     0      32.948 -36.553   0.000  0.00  0.00           S+0
HETATM   36  C   UNK     0      34.418 -36.095   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      35.550 -37.140   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      35.210 -38.643   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      36.342 -39.687   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      36.002 -41.190   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      37.133 -42.235   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      36.794 -43.737   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      35.323 -44.194   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      34.192 -43.149   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      32.722 -43.606   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      32.382 -45.108   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      30.912 -45.565   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      30.572 -47.068   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      29.102 -47.525   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      28.762 -49.027   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      34.758 -34.593   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      33.627 -33.548   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      36.228 -34.136   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      36.568 -32.634   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      38.038 -32.177   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      38.378 -30.675   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      37.246 -29.630   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      39.848 -30.217   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      24.577 -25.189   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      23.106 -25.646   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      24.916 -23.686   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   59                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   29                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   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                                                            
CONECT   29   10   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   51                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   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                                                            
CONECT   51   36   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
CONECT   59    2   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  120    0
END
Download

3D PDB for HMDB0281040 (PS(15:0/LTE4))

COMPND    HMDB0281040
HETATM    1  C1  UNL     1     -17.227   4.048  -0.484  1.00  0.00           C  
HETATM    2  C2  UNL     1     -16.375   2.983   0.221  1.00  0.00           C  
HETATM    3  C3  UNL     1     -15.080   3.588   0.696  1.00  0.00           C  
HETATM    4  C4  UNL     1     -14.261   2.534   1.385  1.00  0.00           C  
HETATM    5  C5  UNL     1     -13.916   1.357   0.485  1.00  0.00           C  
HETATM    6  C6  UNL     1     -13.161   1.807  -0.690  1.00  0.00           C  
HETATM    7  C7  UNL     1     -11.958   1.392  -0.967  1.00  0.00           C  
HETATM    8  C8  UNL     1     -11.202   0.414  -0.130  1.00  0.00           C  
HETATM    9  C9  UNL     1     -10.878  -0.781  -0.961  1.00  0.00           C  
HETATM   10  C10 UNL     1      -9.666  -1.181  -1.209  1.00  0.00           C  
HETATM   11  C11 UNL     1      -8.515  -0.484  -0.684  1.00  0.00           C  
HETATM   12  C12 UNL     1      -7.273  -0.905  -0.961  1.00  0.00           C  
HETATM   13  C13 UNL     1      -6.102  -0.219  -0.444  1.00  0.00           C  
HETATM   14  C14 UNL     1      -4.912  -0.650  -0.739  1.00  0.00           C  
HETATM   15  C15 UNL     1      -3.629  -0.018  -0.258  1.00  0.00           C  
HETATM   16  S1  UNL     1      -2.228  -1.172  -0.390  1.00  0.00           S  
HETATM   17  C16 UNL     1      -1.777  -1.446  -2.107  1.00  0.00           C  
HETATM   18  C17 UNL     1      -0.571  -2.350  -2.157  1.00  0.00           C  
HETATM   19  N1  UNL     1      -0.886  -3.630  -1.576  1.00  0.00           N  
HETATM   20  C18 UNL     1       0.500  -1.772  -1.239  1.00  0.00           C  
HETATM   21  O1  UNL     1       0.585  -0.543  -1.046  1.00  0.00           O  
HETATM   22  O2  UNL     1       1.409  -2.594  -0.595  1.00  0.00           O  
HETATM   23  C19 UNL     1       2.371  -2.103   0.278  1.00  0.00           C  
HETATM   24  C20 UNL     1       3.802  -2.143  -0.295  1.00  0.00           C  
HETATM   25  O3  UNL     1       4.596  -1.606   0.735  1.00  0.00           O  
HETATM   26  C21 UNL     1       5.954  -1.366   0.702  1.00  0.00           C  
HETATM   27  O4  UNL     1       6.557  -1.644  -0.345  1.00  0.00           O  
HETATM   28  C22 UNL     1       6.566  -0.795   1.933  1.00  0.00           C  
HETATM   29  C23 UNL     1       5.780   0.409   2.358  1.00  0.00           C  
HETATM   30  C24 UNL     1       5.664   1.546   1.447  1.00  0.00           C  
HETATM   31  C25 UNL     1       6.815   2.335   1.009  1.00  0.00           C  
HETATM   32  C26 UNL     1       7.919   1.760   0.263  1.00  0.00           C  
HETATM   33  C27 UNL     1       8.956   2.858  -0.101  1.00  0.00           C  
HETATM   34  C28 UNL     1       9.580   3.502   1.058  1.00  0.00           C  
HETATM   35  C29 UNL     1      10.538   4.577   0.736  1.00  0.00           C  
HETATM   36  C30 UNL     1      11.798   4.355   0.029  1.00  0.00           C  
HETATM   37  C31 UNL     1      11.828   3.793  -1.331  1.00  0.00           C  
HETATM   38  C32 UNL     1      13.303   3.830  -1.794  1.00  0.00           C  
HETATM   39  C33 UNL     1      13.417   3.300  -3.180  1.00  0.00           C  
HETATM   40  C34 UNL     1      12.957   1.883  -3.300  1.00  0.00           C  
HETATM   41  C35 UNL     1      13.109   1.437  -4.761  1.00  0.00           C  
HETATM   42  C36 UNL     1       2.389  -3.014   1.482  1.00  0.00           C  
HETATM   43  O5  UNL     1       2.714  -4.317   1.059  1.00  0.00           O  
HETATM   44  P1  UNL     1       2.774  -5.445   2.278  1.00  0.00           P  
HETATM   45  O6  UNL     1       1.567  -5.417   3.169  1.00  0.00           O  
HETATM   46  O7  UNL     1       4.140  -5.063   3.244  1.00  0.00           O  
HETATM   47  O8  UNL     1       2.952  -7.013   1.679  1.00  0.00           O  
HETATM   48  C37 UNL     1       2.314  -7.965   2.458  1.00  0.00           C  
HETATM   49  C38 UNL     1       2.518  -9.362   1.863  1.00  0.00           C  
HETATM   50  N2  UNL     1       1.983  -9.416   0.537  1.00  0.00           N  
HETATM   51  C39 UNL     1       2.000 -10.425   2.748  1.00  0.00           C  
HETATM   52  O9  UNL     1       1.195 -11.254   2.253  1.00  0.00           O  
HETATM   53  O10 UNL     1       2.334 -10.575   4.081  1.00  0.00           O  
HETATM   54  C40 UNL     1      -3.321   1.191  -1.045  1.00  0.00           C  
HETATM   55  O11 UNL     1      -3.245   0.878  -2.421  1.00  0.00           O  
HETATM   56  C41 UNL     1      -3.818   2.526  -0.735  1.00  0.00           C  
HETATM   57  C42 UNL     1      -3.435   3.213   0.510  1.00  0.00           C  
HETATM   58  C43 UNL     1      -3.790   2.681   1.832  1.00  0.00           C  
HETATM   59  C44 UNL     1      -5.241   2.561   2.075  1.00  0.00           C  
HETATM   60  O12 UNL     1      -5.654   1.930   3.080  1.00  0.00           O  
HETATM   61  O13 UNL     1      -6.190   3.127   1.229  1.00  0.00           O  
HETATM   62  H1  UNL     1     -16.747   4.391  -1.404  1.00  0.00           H  
HETATM   63  H2  UNL     1     -17.425   4.848   0.248  1.00  0.00           H  
HETATM   64  H3  UNL     1     -18.226   3.589  -0.695  1.00  0.00           H  
HETATM   65  H4  UNL     1     -16.911   2.555   1.074  1.00  0.00           H  
HETATM   66  H5  UNL     1     -16.214   2.205  -0.574  1.00  0.00           H  
HETATM   67  H6  UNL     1     -14.537   4.042  -0.163  1.00  0.00           H  
HETATM   68  H7  UNL     1     -15.301   4.441   1.377  1.00  0.00           H  
HETATM   69  H8  UNL     1     -14.781   2.120   2.265  1.00  0.00           H  
HETATM   70  H9  UNL     1     -13.333   3.023   1.763  1.00  0.00           H  
HETATM   71  H10 UNL     1     -13.452   0.607   1.120  1.00  0.00           H  
HETATM   72  H11 UNL     1     -14.895   0.895   0.155  1.00  0.00           H  
HETATM   73  H12 UNL     1     -13.667   2.545  -1.365  1.00  0.00           H  
HETATM   74  H13 UNL     1     -11.505   1.804  -1.885  1.00  0.00           H  
HETATM   75  H14 UNL     1     -11.663   0.156   0.816  1.00  0.00           H  
HETATM   76  H15 UNL     1     -10.261   0.955   0.133  1.00  0.00           H  
HETATM   77  H16 UNL     1     -11.766  -1.313  -1.361  1.00  0.00           H  
HETATM   78  H17 UNL     1      -9.572  -2.070  -1.840  1.00  0.00           H  
HETATM   79  H18 UNL     1      -8.545   0.381  -0.058  1.00  0.00           H  
HETATM   80  H19 UNL     1      -7.165  -1.766  -1.579  1.00  0.00           H  
HETATM   81  H20 UNL     1      -6.203   0.648   0.193  1.00  0.00           H  
HETATM   82  H21 UNL     1      -4.802  -1.515  -1.372  1.00  0.00           H  
HETATM   83  H22 UNL     1      -3.768   0.177   0.809  1.00  0.00           H  
HETATM   84  H23 UNL     1      -1.484  -0.518  -2.652  1.00  0.00           H  
HETATM   85  H24 UNL     1      -2.582  -1.933  -2.702  1.00  0.00           H  
HETATM   86  H25 UNL     1      -0.209  -2.493  -3.172  1.00  0.00           H  
HETATM   87  H26 UNL     1      -0.663  -3.684  -0.550  1.00  0.00           H  
HETATM   88  H27 UNL     1      -1.900  -3.876  -1.654  1.00  0.00           H  
HETATM   89  H28 UNL     1       2.166  -1.048   0.468  1.00  0.00           H  
HETATM   90  H29 UNL     1       4.138  -3.176  -0.483  1.00  0.00           H  
HETATM   91  H30 UNL     1       3.811  -1.476  -1.155  1.00  0.00           H  
HETATM   92  H31 UNL     1       7.636  -0.726   1.943  1.00  0.00           H  
HETATM   93  H32 UNL     1       6.332  -1.571   2.753  1.00  0.00           H  
HETATM   94  H33 UNL     1       4.717   0.006   2.489  1.00  0.00           H  
HETATM   95  H34 UNL     1       6.023   0.699   3.420  1.00  0.00           H  
HETATM   96  H35 UNL     1       5.093   1.164   0.529  1.00  0.00           H  
HETATM   97  H36 UNL     1       4.880   2.242   1.894  1.00  0.00           H  
HETATM   98  H37 UNL     1       7.228   2.866   1.932  1.00  0.00           H  
HETATM   99  H38 UNL     1       6.426   3.226   0.415  1.00  0.00           H  
HETATM  100  H39 UNL     1       8.550   0.991   0.744  1.00  0.00           H  
HETATM  101  H40 UNL     1       7.580   1.392  -0.749  1.00  0.00           H  
HETATM  102  H41 UNL     1       8.368   3.564  -0.748  1.00  0.00           H  
HETATM  103  H42 UNL     1       9.634   2.337  -0.789  1.00  0.00           H  
HETATM  104  H43 UNL     1       8.853   3.818   1.855  1.00  0.00           H  
HETATM  105  H44 UNL     1      10.184   2.703   1.619  1.00  0.00           H  
HETATM  106  H45 UNL     1      10.000   5.418   0.143  1.00  0.00           H  
HETATM  107  H46 UNL     1      10.757   5.179   1.701  1.00  0.00           H  
HETATM  108  H47 UNL     1      12.521   3.718   0.643  1.00  0.00           H  
HETATM  109  H48 UNL     1      12.320   5.380  -0.013  1.00  0.00           H  
HETATM  110  H49 UNL     1      11.208   4.230  -2.095  1.00  0.00           H  
HETATM  111  H50 UNL     1      11.651   2.686  -1.248  1.00  0.00           H  
HETATM  112  H51 UNL     1      13.674   4.879  -1.772  1.00  0.00           H  
HETATM  113  H52 UNL     1      13.846   3.162  -1.104  1.00  0.00           H  
HETATM  114  H53 UNL     1      14.485   3.336  -3.490  1.00  0.00           H  
HETATM  115  H54 UNL     1      12.863   3.899  -3.932  1.00  0.00           H  
HETATM  116  H55 UNL     1      13.592   1.248  -2.653  1.00  0.00           H  
HETATM  117  H56 UNL     1      11.889   1.782  -3.022  1.00  0.00           H  
HETATM  118  H57 UNL     1      14.117   1.732  -5.111  1.00  0.00           H  
HETATM  119  H58 UNL     1      12.307   1.942  -5.325  1.00  0.00           H  
HETATM  120  H59 UNL     1      13.042   0.322  -4.804  1.00  0.00           H  
HETATM  121  H60 UNL     1       1.320  -3.097   1.838  1.00  0.00           H  
HETATM  122  H61 UNL     1       3.075  -2.694   2.283  1.00  0.00           H  
HETATM  123  H62 UNL     1       4.916  -5.465   2.734  1.00  0.00           H  
HETATM  124  H63 UNL     1       1.215  -7.826   2.536  1.00  0.00           H  
HETATM  125  H64 UNL     1       2.704  -7.945   3.496  1.00  0.00           H  
HETATM  126  H65 UNL     1       3.637  -9.486   1.765  1.00  0.00           H  
HETATM  127  H66 UNL     1       0.982  -9.223   0.446  1.00  0.00           H  
HETATM  128  H67 UNL     1       2.607  -9.063  -0.190  1.00  0.00           H  
HETATM  129  H68 UNL     1       3.252 -10.239   4.406  1.00  0.00           H  
HETATM  130  H69 UNL     1      -2.139   1.313  -0.847  1.00  0.00           H  
HETATM  131  H70 UNL     1      -4.145   0.770  -2.807  1.00  0.00           H  
HETATM  132  H71 UNL     1      -4.953   2.600  -0.808  1.00  0.00           H  
HETATM  133  H72 UNL     1      -3.499   3.200  -1.608  1.00  0.00           H  
HETATM  134  H73 UNL     1      -2.301   3.311   0.479  1.00  0.00           H  
HETATM  135  H74 UNL     1      -3.752   4.315   0.442  1.00  0.00           H  
HETATM  136  H75 UNL     1      -3.470   3.521   2.580  1.00  0.00           H  
HETATM  137  H76 UNL     1      -3.178   1.849   2.165  1.00  0.00           H  
HETATM  138  H77 UNL     1      -7.162   2.873   1.201  1.00  0.00           H  
CONECT    1    2   62   63   64
CONECT    2    3   65   66
CONECT    3    4   67   68
CONECT    4    5   69   70
CONECT    5    6   71   72
CONECT    6    7    7   73
CONECT    7    8   74
CONECT    8    9   75   76
CONECT    9   10   10   77
CONECT   10   11   78
CONECT   11   12   12   79
CONECT   12   13   80
CONECT   13   14   14   81
CONECT   14   15   82
CONECT   15   16   54   83
CONECT   16   17
CONECT   17   18   84   85
CONECT   18   19   20   86
CONECT   19   87   88
CONECT   20   21   21   22
CONECT   22   23
CONECT   23   24   42   89
CONECT   24   25   90   91
CONECT   25   26
CONECT   26   27   27   28
CONECT   28   29   92   93
CONECT   29   30   94   95
CONECT   30   31   96   97
CONECT   31   32   98   99
CONECT   32   33  100  101
CONECT   33   34  102  103
CONECT   34   35  104  105
CONECT   35   36  106  107
CONECT   36   37  108  109
CONECT   37   38  110  111
CONECT   38   39  112  113
CONECT   39   40  114  115
CONECT   40   41  116  117
CONECT   41  118  119  120
CONECT   42   43  121  122
CONECT   43   44
CONECT   44   45   45   46   47
CONECT   46  123
CONECT   47   48
CONECT   48   49  124  125
CONECT   49   50   51  126
CONECT   50  127  128
CONECT   51   52   52   53
CONECT   53  129
CONECT   54   55   56  130
CONECT   55  131
CONECT   56   57  132  133
CONECT   57   58  134  135
CONECT   58   59  136  137
CONECT   59   60   60   61
CONECT   61  138
END
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SMILES for HMDB0281040 (PS(15:0/LTE4))

CCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC)[C@@H](O)CCCC(O)=O
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INCHI for HMDB0281040 (PS(15:0/LTE4))

InChI=1S/C44H77N2O13PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-40(39(47)28-27-30-41(48)49)61-35-38(46)44(53)59-36(33-57-60(54,55)58-34-37(45)43(51)52)32-56-42(50)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,25,29,36-40,47H,3-10,12,14-16,18,20,22,24,26-28,30-35,45-46H2,1-2H3,(H,48,49)(H,51,52)(H,54,55)/b13-11-,19-17-,23-21+,29-25+/t36-,37+,38+,39+,40-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2-amino-2-carboxyethoxy](hydroxy)phosphoryl}oxy)-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoateHMDB
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2-amino-2-carboxyethoxy](hydroxy)phosphoryl}oxy)-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoateHMDB
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2-amino-2-carboxyethoxy](hydroxy)phosphoryl}oxy)-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acidHMDB
Chemical FormulaC44H77N2O13PS
Average Molecular Weight905.13
Monoisotopic Molecular Weight904.488398719
IUPAC Name(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2-amino-2-carboxyethoxy](hydroxy)phosphoryl}oxy)-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Traditional Name(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-{[(2S)-2-amino-2-carboxyethoxy(hydroxy)phosphoryl]oxy}-3-(pentadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC)[C@@H](O)CCCC(O)=O
InChI Identifier
InChI=1S/C44H77N2O13PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-40(39(47)28-27-30-41(48)49)61-35-38(46)44(53)59-36(33-57-60(54,55)58-34-37(45)43(51)52)32-56-42(50)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,25,29,36-40,47H,3-10,12,14-16,18,20,22,24,26-28,30-35,45-46H2,1-2H3,(H,48,49)(H,51,52)(H,54,55)/b13-11-,19-17-,23-21+,29-25+/t36-,37+,38+,39+,40-/m1/s1
InChI KeyCGLYUHSTEHLHRP-VHNMEOPISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentLeukotrienes
Alternative Parents
Substituents
  • Leukotriene
  • Hydroxyeicosatetraenoic acid
  • Diacyl-glycerol-3-phosphoserine
  • Glycerophosphoserine
  • Tetracarboxylic acid or derivatives
  • Alpha-amino acid ester
  • Cysteine or derivatives
  • L-alpha-amino acid
  • Glycerophospholipid
  • Alpha-amino acid or derivatives
  • Alpha-amino acid
  • Phosphoethanolamine
  • Dialkyl phosphate
  • Thia fatty acid
  • Hydroxy fatty acid
  • Fatty acid ester
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid ester
  • Amino acid or derivatives
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Amine
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 10V, Positive-QTOFsplash10-004l-0000000169-fcafdeff29e877c1b97f2021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 20V, Positive-QTOFsplash10-004i-0000000029-5ccb81788cde1da3341b2021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 40V, Positive-QTOFsplash10-0a4i-0090000331-a7ae220ec97479f8c50d2021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 10V, Positive-QTOFsplash10-0a4i-0000000109-10540f1c8cc7e1b40e1e2021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 20V, Positive-QTOFsplash10-05fr-0010403916-f63e3a38695e68cf4a362021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 40V, Positive-QTOFsplash10-00di-0010403911-148956c73c2325dcbf032021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 10V, Negative-QTOFsplash10-0udi-0000000009-de1913e8235517396f832021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 20V, Negative-QTOFsplash10-0udi-0000000019-a59c762137d99be47ac72021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 40V, Negative-QTOFsplash10-0gkl-0167670096-b15cf368b5afcc013e282021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 10V, Positive-QTOFsplash10-0229-0000000999-70d4f1625265db89f0f52021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 20V, Positive-QTOFsplash10-022c-0900000999-f101d037075745b99ed82021-09-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PS(15:0/LTE4) 40V, Positive-QTOFsplash10-022c-0900000999-f101d037075745b99ed82021-09-28Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound156984392
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Hajeyah AA, Griffiths WJ, Wang Y, Finch AJ, O'Donnell VB: The Biosynthesis of Enzymatically Oxidized Lipids. Front Endocrinol (Lausanne). 2020 Nov 19;11:591819. doi: 10.3389/fendo.2020.591819. eCollection 2020. [PubMed:33329396 ]