Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50254
Common Name:	dTDP-beta-L-rhamnose
Systematic Name:	thymidine 5'-[3-(6-deoxy-beta-L-mannopyranosyl) dihydrogen diphosphate]
RefMet Name:	dTDP-beta-L-rhamnose
Synonyms:	Thymidine 5'-(trihydrogen diphosphate), P'-(6-deoxy-beta-L-mannopyranosyl) ester; Thymidine diphosphate-L-rhamnose; dTDP-6-deoxy-beta-L-mannose [PubChem Synonyms]
Exact Mass:	548.0808 (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:	C16H26N2O15P2
InChIKey:	ZOSQFDVXNQFKBY-CGAXJHMRSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Pyrimidine nucleotides [C0001509]
ClassyFire subclass:	Pyrimidine nucleotide sugars [C0001296]
ClassyFire direct parent:	Pyrimidine nucleotide sugars [C0001296]
SMILES:	Cc1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](C)O3)O)O)O)O2)O)c(=O)[nH]c1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	121966
CHEBI ID:	15774
HMDB ID:	HMDB0006354
KEGG ID:	C03319
Plant Metabolite Hub(Pmhub):	MS000017833

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