Spectrum KO002644 for 2,3-Diphosphoglycerate

Rating: (*)★(*)★(*)★(*)★(*)☆

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
KO002644
2016.01.19 (Created 2007.07.07, modified 2012.05.21)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID D017
265.95927
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
2.4429718582681597
0.9021146865275391
267
[M+H]+
122.6976928839154 ppm
0.03276028400000541 Da