439281
  -OEChem-02210611352D

 30 30  0     1  0  0  0  0  0999 V2000
    4.2690    0.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 C   0  0  2  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    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369    0.8100    0.0000 O   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
    6.0010    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
    4.2690   -1.1900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -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
    6.0010    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -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
    4.8059    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9300    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
    3.7321    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -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
    3.6584   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -2.7726    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 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  6  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439281

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4csAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAHgAAAAAIEADxPAgACAIHgAAGwAIQAQAIAAAAEAAAAAAIgAAAEBMAAACAAAIHAEAHAJcAFg9w8AEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide

> <PUBCHEM_NIST_INCHI>
InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8u/m1/s1/f/h9H

> <PUBCHEM_CACTVS_XLOGP>
-2.839

> <PUBCHEM_OPENEYE_MF>
C8H15NO6

> <PUBCHEM_OPENEYE_MW>
221.208

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
119.25

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
3918

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00645

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.5.1.56
Is a reactant or product of enzyme EC 2.7.1.60
Is a reactant or product of enzyme EC 3.1.3.-
Is a reactant or product of enzyme EC 3.1.4.-
Is a reactant or product of enzyme EC 4.1.3.3
Is a reactant or product of enzyme EC 5.1.3.8
Is a reactant or product of enzyme EC 5.1.3.14

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Acetamido-2-deoxy-D-mannose
3615-17-6
C00645
N-Acetyl-D-mannosamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
3615-17-6

> <PUBCHEM_XREF_EXT_ID>
C00645

> <PUBCHEM_GENBANK_PROTEIN_ID>
1127100
1127101
1127102
1127103
2624634
2624635
2624636
2624637
2624681
2624682
2624683
2624684
11513504
11513505
11513506
11513507
11513510
11513511
11513512
11513513
11513515
11513516
11513518
11513519
11513541
11513542
12084373
12084374
12084375
12084376
12084377
12084378
12084462
12084463
12084464
12084465
31615336
31615337
31615338
31615339
39654327
39654328
39655015
39655016
39655021
39655022
39655023
39655024
73536195
73536196

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00645

> <PUBCHEM_CID_ASSOCIATIONS>
439281  1

> <PUBCHEM_BONDANNOTATIONS>
1  4  6
10  14  6
2  6  6
3  8  3
5  11  5

$$$$