Mrv1652303291817492D          

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M  END
> <DATABASE_ID>
BMDB0005998

> <DATABASE_NAME>
bmdb

> <SMILES>
OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-

> <INCHI_KEY>
NNDIXBJHNLFJJP-DTLRTWKJSA-N

> <FORMULA>
C20H32O3

> <MOLECULAR_WEIGHT>
320.4663

> <EXACT_MASS>
320.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
38.44345502523711

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <ALOGPS_LOGP>
5.87

> <JCHEM_LOGP>
5.150492194333333

> <ALOGPS_LOGS>
-5.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
16.843936486031673

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.819771907472209

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922622479596956

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
101.8827

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
20-hete

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0005998

> <GENERIC_NAME>
20-Hydroxyeicosatetraenoic acid

> <SYNONYMS>
(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoate; (5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid; (all-Z)-20-hydroxy-5,8,11,14-Eicosatetraenoate; (all-Z)-20-hydroxy-5,8,11,14-Eicosatetraenoic acid; 20-HETE; 20-Hydroxy arachidonic acid; 20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate; 20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid; 20-hydroxy-5,8,11,14-eicosatetraenoate; 20-hydroxy-5,8,11,14-eicosatetraenoic acid; 20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoate; 20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid; 20-Hydroxyarachidonic acid; 20-Hydroxyicosatetraenoate; 20-Hydroxyicosatetraenoic acid

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