439213
  -OEChem-02210611042D

 25 25  0     1  0  0  0  0  0999 V2000
    3.4030    0.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  6  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5 16  1  0  0  0  0
  6 10  1  1  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439213

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YsAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAHgAAAAAIEADxPAgACAAHgAAGQAAAAAAAAAAAAAAAAAAAgAAAEBMAAACAAAIHAEADAAcAEA1w8AEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6u/m1/s1

> <PUBCHEM_CACTVS_XLOGP>
-3.049

> <PUBCHEM_OPENEYE_MF>
C6H13NO5

> <PUBCHEM_OPENEYE_MW>
179.171

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)O)N)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O

> <PUBCHEM_CACTVS_TPSA>
116.17

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
3623

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00329

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.3.1.3
Is a reactant or product of enzyme EC 2.7.1.1
Is a reactant or product of enzyme EC 2.7.1.8
Is a reactant or product of enzyme EC 2.7.1.69
Is a reactant or product of enzyme EC 3.2.1.-
Is a reactant or product of enzyme EC 3.5.1.33
Is a reactant or product of enzyme EC 3.10.1.1

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Amino-2-deoxy-D-glucose
3416-24-8
C00329
Chitosamine
D-Glucosamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
3416-24-8

> <PUBCHEM_XREF_EXT_ID>
C00329

> <PUBCHEM_GENBANK_PROTEIN_ID>
229993
230790
442961
1827648
1827887
2392298
2554671
2780991
2780992
2914299
2914300
2914331
3212513
3212514
3212515
3318962
3319075
3319076
3402187
3402188
3659927
3659928
3659929
3659930
3660335
3891376
5107491
5542103
5542104
6573639
6573640
7245352
7245424
11513745
11513746
14278239
14488787
30749733
30749734
30749735
30749736
31615741
31615742
33358188
33358189
33358190
34810489
47169424
47169425
60593883
60593884
60593885
66360303
66360304
66360305
66360306

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00329

> <PUBCHEM_CID_ASSOCIATIONS>
439213  1

> <PUBCHEM_BONDANNOTATIONS>
1  9  6
2  11  5
3  12  3
5  7  6
6  10  5

$$$$