Spectrum KO001572 for Phosphoenolpyruvate

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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/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
DTBNBXWJWCWCIK-UHFFFAOYSA-N
C3H5O6P
167.98237451
O=C(O)C(OP(=O)(O)O)=C

Mass Spectral Metadata

NameValue
KO001572
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID P007
167.98237
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
0.17415638991563487
0.07926198883446471
167
[M-H]-
149.11071856281822 ppm
0.024901489999990645 Da