900
  -OEChem-02220609022D

 35 35  0     1  0  0  0  0  0999 V2000
    5.1350    3.3100    0.0000 C   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
    4.2690    1.8100    0.0000 O   0  0  0  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
    6.0010    0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 C   0  0  3  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
    5.1350    0.3100    0.0000 C   0  0  3  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
    3.4030    0.3100    0.0000 P   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
    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
    6.0010   -2.1900    0.0000 C   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
    7.7331   -1.1900    0.0000 O   0  0  0  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
    5.7550    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
    6.5380    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6939    1.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5599   -0.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5599   -0.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082   -1.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1100    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
    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
    5.1350   -3.3100    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
    8.2700    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
900

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQI8cuAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAHgAAACAIEADxPAgACAIHgBAHwAIQAUAIAACAEAAAAAAIgAAAEBMAAACAAAIHAEAHAJcAFg9w8AEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(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)/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)NC1C(C(C(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>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <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>
2964

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
N-ACETYL-D-GLUCOSAMINE-1-P

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES - Unclassified-Compounds
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>
N-ACETYL-D-GLUCOSAMINE-1-P
N-acetyl-alpha-D-glucosamine 1-phosphate
N-acetyl-D-glucosamine 1-phosphate
N-acetyl-glucosamine-1-phosphate

> <PUBCHEM_XREF_EXT_ID>
N-ACETYL-D-GLUCOSAMINE-1-P

> <PUBCHEM_PUBMED_ID>
3905795
8083170
8407787
8555230
11125071

> <PUBCHEM_GENBANK_PROTEIN_ID>
2506338
11514554
11514555
11514557
11514558
13399862
13399863
16131598

> <PUBCHEM_EXT_DATASOURCE_URL>
http://biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=N%2DACETYL%2DD%2DGLUCOSAMINE%2D1%2DP

> <PUBCHEM_CID_ASSOCIATIONS>
900  1

> <PUBCHEM_BONDANNOTATIONS>
10  11  3
5  4  3
6  19  3
7  18  3
8  16  3

$$$$