Mrv0541 02231221092D          

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M  END
> <DATABASE_ID>
BMDB0007186

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13-16,35,38H,3-12,17-34H2,1-2H3/b15-13-,16-14-/t35-/m0/s1

> <INCHI_KEY>
YHPHFGMSKYQPCV-QPFMYUCOSA-N

> <FORMULA>
C37H68O5

> <MOLECULAR_WEIGHT>
592.9328

> <EXACT_MASS>
592.506675286

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
75.92444132324222

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl (11Z)-octadec-11-enoate

> <ALOGPS_LOGP>
9.97

> <JCHEM_LOGP>
12.168387798666664

> <ALOGPS_LOGS>
-7.63

> <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>
179.13410000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
34

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.40e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007186

> <GENERIC_NAME>
DG(18:1(11Z)/16:1(9Z)/0:0)

> <SYNONYMS>
1-vaccenoyl-2-palmitoleoyl-sn-glycerol; DAG(18:1/16:1); DAG(18:1n7/16:1n7); DAG(18:1w7/16:1w7); DAG(34:2); DG(18:1/16:1); DG(18:1n7/16:1n7); DG(18:1w7/16:1w7); DG(34:2); Diacylglycerol; Diacylglycerol(18:1/16:1); Diacylglycerol(18:1n7/16:1n7); Diacylglycerol(18:1w7/16:1w7); Diacylglycerol(34:2); Diglyceride

$$$$