Spectrum KO001582 for 5-Phosphorylribose 1-pyrophosphate

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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/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5+/m1/s1
PQGCEDQWHSBAJP-AIHAYLRMSA-N
C5H13O14P3
389.951814986
O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O

Mass Spectral Metadata

NameValue
LC-ESI-QQ
MS2
20 V
KO001582
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 P023
389.95181
API3000, Applied Biosystems
negative
2.1195308370707298
0.733307344039885
389
[M-H]-
142.573300771214 ppm
0.05546101400000225 Da