105021
  -OEChem-04260609172D

 34 34  0     1  0  0  0  0  0999 V2000
    6.8909   -2.2337    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031    1.5231    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -1.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -3.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977    1.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9077    2.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398    2.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607    0.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -2.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986    0.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -0.7202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118    0.2308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7208   -0.7202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2663   -1.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0953   -2.9780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4741    2.7698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1621    1.9202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753    3.0428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023    1.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    1.9743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -1.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -0.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -0.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
 17  4  1  6  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 24  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 25  1  0  0  0  0
 19 10  1  6  0  0  0
 10 26  1  0  0  0  0
 20 11  1  1  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 18 16  1  6  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
105021

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAMAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIACAAABxAAQAAAAIAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1/f/h10-11,13-14H

> <PUBCHEM_CACTVS_XLOGP>
-4.243

> <PUBCHEM_CACTVS_EXACT_MASS>
339.996

> <PUBCHEM_OPENEYE_MF>
C6H14O12P2

> <PUBCHEM_OPENEYE_MW>
340.116

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

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

> <PUBCHEM_CACTVS_TPSA>
203.44

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
339.996

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
3934

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00665

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.7.1.105
Is a reactant or product of enzyme EC 3.1.3.46
Is a reactant or product of enzyme EC 3.1.3.54

> <PUBCHEM_SUBSTANCE_SYNONYM>
C00665
D-Fructose 2,6-bisphosphate

> <PUBCHEM_XREF_EXT_ID>
C00665

> <PUBCHEM_GENBANK_PROTEIN_ID>
2392330
2392331
2624499
2914269
2914270
6137441
6729954
6729955
27573692
27573693
33356831
33356832
33356833
33356834
33356835

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00665

> <PUBCHEM_CID_ASSOCIATIONS>
105021  1

> <PUBCHEM_BONDANNOTATIONS>
19  10  6
20  11  5
18  16  6
17  4  6

$$$$