Mrv0541 02231221352D          

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M  END
> <DATABASE_ID>
BMDB0007646

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,37,40H,3-10,12,14-15,18-36H2,1-2H3/b13-11-,17-16-/t37-/m0/s1

> <INCHI_KEY>
QHYUDKBZLXVCCQ-KAOSVWFWSA-N

> <FORMULA>
C39H72O5

> <MOLECULAR_WEIGHT>
620.986

> <EXACT_MASS>
620.537975414

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
81.0620981594613

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-(tetradecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate

> <ALOGPS_LOGP>
10.27

> <JCHEM_LOGP>
13.057525128666665

> <ALOGPS_LOGS>
-7.69

> <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>
188.33610000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.27e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007646

> <GENERIC_NAME>
DG(22:2(13Z,16Z)/14:0/0:0)

> <SYNONYMS>
1-docosadienoyl-2-myristoyl-sn-glycerol; DAG(22:2/14:0); DAG(22:2n6/14:0); DAG(22:2w6/14:0); DAG(36:2); DG(22:2/14:0); DG(22:2n6/14:0); DG(22:2w6/14:0); DG(36:2); Diacylglycerol; Diacylglycerol(22:2/14:0); Diacylglycerol(22:2n6/14:0); Diacylglycerol(22:2w6/14:0); Diacylglycerol(36:2); Diglyceride

$$$$