Spectrum KO000561 for 2,3-Diphosphoglycerate

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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/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
XOHUEYCVLUUEJJ-UWTATZPHSA-N
C3H8O10P2
265.959269716
O=C(O)C(OP(=O)(O)O)COP(=O)(O)O

Mass Spectral Metadata

NameValue
CC BY-NC-SA
KO000561
2016.01.19 (Created 2007.07.07, modified 2012.05.21)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
KEIO_ID D017
265.95927
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
negative
1.9828267231072219
0.6016155543253813
265
[M-H]-
181.15578867923003 ppm
0.04800628399999596 Da