Mrv1652310281915522D          

 11 10  0  0  0  0            999 V2000
 9991.8108 9991.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.0969 9991.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.3822 9991.6646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9989.6675 9991.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9529 9991.6646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9990.3822 9992.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5263 9991.2527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.2417 9991.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9551 9991.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.2417 9992.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5263 9990.4280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0000450

> <DATABASE_NAME>
bmdb

> <SMILES>
NC[C@H](O)CC[C@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1

> <INCHI_KEY>
YSMODUONRAFBET-UHNVWZDZSA-N

> <FORMULA>
C6H14N2O3

> <MOLECULAR_WEIGHT>
162.187

> <EXACT_MASS>
162.100442324

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
16.54664931761117

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid

> <ALOGPS_LOGP>
-3.77

> <JCHEM_LOGP>
-4.414212989148228

> <ALOGPS_LOGS>
-0.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.903490442523363

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.4473857532646233

> <JCHEM_PKA_STRONGEST_BASIC>
9.746257700424144

> <JCHEM_POLAR_SURFACE_AREA>
109.57

> <JCHEM_REFRACTIVITY>
39.17100000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-hydroxylysine

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0000450

> <GENERIC_NAME>
5-Hydroxylysine

> <SYNONYMS>
(2S,5R)-2,6-diamino-5-hydroxyhexanoate; (2S,5R)-2,6-diamino-5-hydroxyhexanoic acid; (2S,5R)-5-hydroxylysine; (5R)-5-hydroxy-L-lysine; 5-hydroxy-L-lysine; 5-hydroxy-Lysine; Alpha,epsilon-diamino-delta-hydroxycaproate; Alpha,epsilon-diamino-delta-hydroxycaproic acid; d-Hydroxy-L-lysine; d-Hydroxylysine; Delta-DL-hydroxylysine; delta-Hydroxy-L-lysine; delta-Hydroxylysine; erythro-5-hydroxy-L-lysine; hydroxy-Lysine; Hydroxylysine; L-d-Hydroxylysine; L-delta-Hydroxylysine; L-normal-5-hydroxylysine; procollagen 5-hydroxy-L-lysine; Procollagen L-erythro-5-hydroxy-L-lysine

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