Mrv0541 02231221312D          

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M  END
> <DATABASE_ID>
BMDB0007560

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@](CO)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C37H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,23,25,35,38H,3-4,6,8-9,14-15,18,21-22,24,26-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,25-23-/t35-/m0/s1

> <INCHI_KEY>
MLQRXDMLDPCVRQ-UBKXAMEVSA-N

> <FORMULA>
C37H60O5

> <MOLECULAR_WEIGHT>
584.8693

> <EXACT_MASS>
584.44407503

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
70.96284760875417

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

> <ALOGPS_LOGP>
8.18

> <JCHEM_LOGP>
10.720701171999998

> <ALOGPS_LOGS>
-7.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784010567285

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9834772737778694

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
183.60050000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.70e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007560

> <GENERIC_NAME>
DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)

> <SYNONYMS>
1-eicosapentaenoyl-2-myristoleoyl-sn-glycerol; DAG(20:5/14:1); DAG(20:5n3/14:1n5); DAG(20:5w3/14:1w5); DAG(34:6); DG(20:5/14:1); DG(20:5n3/14:1n5); DG(20:5w3/14:1w5); DG(34:6); Diacylglycerol; Diacylglycerol(20:5/14:1); Diacylglycerol(20:5n3/14:1n5); Diacylglycerol(20:5w3/14:1w5); Diacylglycerol(34:6); Diglyceride

$$$$