Spectrum KO000750 for Fructose 1,6-diphosphate

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
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
RNBGYGVWRKECFJ-VRPWFDPXSA-N
C6H14O12P2
339.99604914799994
O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O

Mass Spectral Metadata

NameValue
KO000750
2016.01.19 (Created 2007.07.07, modified 2012.10.22)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID F008
339.99605
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
2.1641707918991453
0.5753936842842179
339
[M-H]-
33.1175575222708 ppm
0.011226852000049803 Da