440272
  -OEChem-02220609022D

 35 35  0     1  0  0  0  0  0999 V2000
    6.0010    0.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  6  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  1  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
440272

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQI8cuAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAHgAAACAIEADxPAgACAIHgBAHwAIQAUAIAACAEAAAAAAIgAAAEBMAAACAAAIHAEAHAJcAFg9w8AEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8u/m1/s1/f/h9,14-15H

> <PUBCHEM_CACTVS_XLOGP>
-3.57

> <PUBCHEM_OPENEYE_MF>
C8H16NO9P

> <PUBCHEM_OPENEYE_MW>
301.188

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)(O)O)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
165.78

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
2

> <PUBCHEM_SUBSTANCE_ID>
6921

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C04256

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.3.1.157
Is a reactant or product of enzyme EC 2.7.7.23
Is a reactant or product of enzyme EC 5.4.2.3

> <PUBCHEM_SUBSTANCE_SYNONYM>
C04256
N-Acetyl-D-glucosamine 1-phosphate

> <PUBCHEM_XREF_EXT_ID>
C04256

> <PUBCHEM_GENBANK_PROTEIN_ID>
11514554
11514555
11514557
11514558
13399862
13399863
14488785
14488786
17942977
17942978
17942979
17942980
17942981
17942982
23200212
23200213
23200214
23200215
55670462
55670463
56966938

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C04256

> <PUBCHEM_CID_ASSOCIATIONS>
440272  1

> <PUBCHEM_BONDANNOTATIONS>
1  4  6
10  15  5
2  6  3
3  8  5
7  12  6

$$$$