beta-D-Fructose 1,6-bisphosphate - Substance Summary (SID 7752)
  Table of Contents
 Data Source: 
Depositor: KEGGExternal ID: C05378
 Properties Computed from Structure:
| Molecular Weight | 340.115682 [g/mol] | | Molecular Formula | C6H14O12P2 | | XLogP3-AA | -5.6 | | H-Bond Donor | 7 | | H-Bond Acceptor | 12 | | Rotatable Bond Count | 6 | | Exact Mass | 339.996049 | | MonoIsotopic Mass | 339.996049 | | Topological Polar Surface Area | 203 | | Heavy Atom Count | 20 | | Formal Charge | 0 | | Complexity | 428 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 4 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
InChI: InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,
14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
InChIKey: RNBGYGVWRKECFJ-ARQDHWQXSA-N
Substance Information:
Depositor-Supplied Comments:
ChEBI: 28013
PDB-CCD: FBP
3DMET: B01851
Is a reactant or product of enzyme EC 2.7.1.11
Is a reactant or product of enzyme EC 2.7.1.56
Is a reactant or product of enzyme EC 2.7.1.90
Is a reactant or product of enzyme EC 3.1.3.11
Is a reactant or product of enzyme EC 4.1.2.13
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| Compound ID | 10267 |
| | Molecular Weight | 340.115682 [g/mol] |
| | Molecular Formula | C6H14O12P2 |
| | XLogP3-AA | -5.6 |
| | H-Bond Donor | 7 |
| | H-Bond Acceptor | 12 |
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