Mrv0541 02231221122D          

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M  END
> <DATABASE_ID>
BMDB0007239

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-19,25,43,46H,3-16,20-24,26-42H2,1-2H3/b19-17-,25-18-/t43-/m0/s1

> <INCHI_KEY>
WFZSGDVAXWZXMS-BGUONOPZSA-N

> <FORMULA>
C45H84O5

> <MOLECULAR_WEIGHT>
705.1455

> <EXACT_MASS>
704.631875798

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
93.79951193279096

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate

> <ALOGPS_LOGP>
10.74

> <JCHEM_LOGP>
15.724937118666665

> <ALOGPS_LOGS>
-7.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784010572557

> <JCHEM_PKA_STRONGEST_BASIC>
-2.983477273775563

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
215.9421

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.69e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007239

> <GENERIC_NAME>
DG(18:1(9Z)/24:1(15Z)/0:0)

> <SYNONYMS>
1-oleoyl-2-nervonoyl-sn-glycerol; DAG(18:1/24:1); DAG(18:1n9/24:1n9); DAG(18:1w9/24:1w9); DAG(42:2); DG(18:1/24:1); DG(18:1n9/24:1n9); DG(18:1w9/24:1w9); DG(42:2); Diacylglycerol; Diacylglycerol(18:1/24:1); Diacylglycerol(18:1n9/24:1n9); Diacylglycerol(18:1w9/24:1w9); Diacylglycerol(42:2); Diglyceride

$$$$