| SpectraBase Spectrum ID |
D0rtfEOuBK0 |
| Name |
D-Fructose-1,6-bisphosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
125740-83-2
15499-52-2
23558-08-9
23784-19-2
26177-85-5
34378-77-3
38099-82-0
4004-40-4
488-69-7
6035-52-5
6055-82-9
77-82-7 |
| ChEBI ID |
28013 |
| Comments |
100 mM d-fructose-1-6-bisphosphate sodium salt - vendor: Sigma f4757; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6H14O12P2 |
| IUPAC Name |
[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methoxyphosphonic acid; [(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid |
| 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-VRPWFDPXSA-N |
| KEGG Compound ID |
C05378 |
| KEGG Pathways |
PATH: map00010 Glycolysis / Gluconeogenesis
PATH: map00030 Pentose phosphate pathway
PATH: map00051 Fructose and mannose metabolism |
| PubChem Compound ID |
10267 |
| SMILES |
C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O |
| Source File Reference |
bmse000011 |
