439217
  -OEChem-02210611052D

 30 30  0     1  0  0  0  0  0999 V2000
    5.1350    1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    1.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  1  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  1  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  6  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  4 20  1  0  0  0  0
  5  6  1  6  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439217

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQI8YsAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAHgAAACAIEADxPAgACAAHgBAHQAAAAEAAAACAAAAAAAAAgAAAEBMAAACAAAIHAEADAAcAEA1w8AEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-oxan-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1/f/h11-12H

> <PUBCHEM_CACTVS_XLOGP>
-3.78

> <PUBCHEM_OPENEYE_MF>
C6H14NO8P

> <PUBCHEM_OPENEYE_MW>
259.151

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

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

> <PUBCHEM_CACTVS_TPSA>
162.7

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
3645

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00352

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.3.1.4
Is a reactant or product of enzyme EC 2.6.1.16
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 3.5.1.25
Is a reactant or product of enzyme EC 3.5.99.6
Is a reactant or product of enzyme EC 5.4.2.10

> <PUBCHEM_SUBSTANCE_SYNONYM>
3616-42-0
C00352
D-Glucosamine 6-phosphate
D-Glucosamine phosphate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
3616-42-0

> <PUBCHEM_XREF_EXT_ID>
C00352

> <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
3745751
3745752
3891376
5107491
5542103
5542104
5822132
6573639
6573640
7245352
7245424
11513745
11513746
14277743
14277744
14277745
14277746
14277747
14277748
14277749
14277750
14277753
14277754
14277755
14277756
14277757
14277758
14278239
14488787
17942686
17942687
17942688
20150540
22218827
27574194
27574195
30749733
30749734
30749735
30749736
31615741
31615742
33358188
33358189
33358190
34810489
37926898
37926899
37926900
37926901
37926902
37926903
38493065
38493066
47169424
47169425
55670838
55670839
55670840
55670841
60593883
60593884
60593885
60594419
60594420
62739000
62739001
62739002
62739003
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+C00352

> <PUBCHEM_CID_ASSOCIATIONS>
439217  1

> <PUBCHEM_BONDANNOTATIONS>
1  7  5
2  8  5
3  9  6
4  10  5
5  6  6

$$$$