Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51883
Common Name:	3'-UMP
Systematic Name:	3'-uridylic acid
RefMet Name:	3'-UMP
Synonyms:	[PubChem Synonyms]
Exact Mass:	324.0359 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C9H13N2O9P
InChIKey:	FOGRQMPFHUHIGU-XVFCMESISA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Ribonucleoside 3'-phosphates [C0004404]
ClassyFire subclass:	Ribonucleoside 3'-phosphates [C0004404]
ClassyFire direct parent:	Aromatic heteromonocyclic compounds
SMILES:	c1cn([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)OP(=O)(O)O)O)c(=O)[nH]c1=O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	101543
CHEBI ID:	28895
HMDB ID:	HMDB0060282
Plant Metabolite Hub(Pmhub):	MS000017228

Calculated physicochemical properties (?):

Heavy Atoms:	21
Rings:	2
Aromatic Rings:	1
Rotatable Bonds:	4
van der Waals Molecular volume:	241.66 Å3 molecule-1
Toplogical Polar Sufrace Area:	173.38 Å2 molecule-1
Hydrogen Bond Donors:	5
Hydrogen Bond Acceptors:	10
logP:	0.39
Molar Refractivity:	67.14
Fraction sp3 Carbons:	0.56
sp3 Carbons:	5

Human Pathway links:

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y