Spectrum CCMSLIB00005464602 for URIDINE DIPHOSPHATE GLUCURONIC ACID

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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
63700-19-6
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
C15H22N2O18P2
580.034285124
O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CC(O)=NC3=O)C(O)C2O)C(O)C(O)C1O
HDYANYHVCAPMJV-LXQIFKJMSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
580.034
-1
MSV000084496/peak/mzXML/GNPS00007_F8_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
2.5262488474186044
0.6675798762238171
579.027
[M-H]-
0.015757468851163615 ppm
-9.123999916482717E-6 Da