MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)
  Mrv1652304202019522D          

 28 27  0  0  0  0            999 V2000
   24.1439   -6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1828   -7.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2216   -6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1439   -5.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2603   -7.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4327   -8.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9380   -8.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7182   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7182   -9.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0041   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2899   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5758   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8617   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0367   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3225   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6084   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7834   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0693   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3552   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5302   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8160   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2769   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5628   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8486   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1345   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4204   -8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062   -8.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0004666

> <DATABASE_NAME>
bmdb

> <SMILES>
[H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-

> <INCHI_KEY>
RCRCTBLIHCHWDZ-DOFZRALJSA-N

> <FORMULA>
C23H38O4

> <MOLECULAR_WEIGHT>
378.5454

> <EXACT_MASS>
378.277009704

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
44.957697759251324

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <ALOGPS_LOGP>
5.65

> <JCHEM_LOGP>
5.412627913000001

> <ALOGPS_LOGS>
-5.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.979619367999383

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.278372842011322

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9827691988008223

> <JCHEM_POLAR_SURFACE_AREA>
66.75999999999999

> <JCHEM_REFRACTIVITY>
116.97789999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-arachidonoylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0004666

> <GENERIC_NAME>
2-Arachidonylglycerol

> <SYNONYMS>
(5Z,8Z,11Z,14Z)-2-hydroxy-1-(hydroxymethyl)ethyl ester 5,8,11,14-Eicosatetraenoate; (5Z,8Z,11Z,14Z)-2-hydroxy-1-(hydroxymethyl)ethyl ester 5,8,11,14-Eicosatetraenoic acid; (all-Z)-2-hydroxy-1-(hydroxymethyl)ethyl ester 5,8,11,14-Eicosatetraenoate; (all-Z)-2-hydroxy-1-(hydroxymethyl)ethyl ester 5,8,11,14-Eicosatetraenoic acid; 1-monoacylglyceride; 1-monoacylglycerol; 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycerol; 2-arachidonoyl-glycerol; 2-Monoarachidonoylglycerolbeta-monoacylglycerol; b-monoacylglycerol; beta-monoacylglycerol; MAG(0:0/20:4); MAG(0:0/20:4n6); MAG(0:0/20:4w6); MAG(20:4); MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0); MG(0:0/20:4); MG(0:0/20:4n6); MG(0:0/20:4w6); MG(20:4)

$$$$