MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

dTDP

	Properties	Image
MNX_ID	MNXM152
reference	chebi:58369
formula	C₁₀H₁₃N₂O₁₁P₂
global charge	-3
mol weight	399.165
InChIKey	UJLXYODCHAELLY-XLPZGREQSA-K
InChI	InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/p-3/t6-,7+,8+/m0/s1
SMILES	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])O2)C(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
SMILES (mnx)	[CH3:1][C:5]1=[CH:3][N:12]([C@H:8]2[CH2:2][C@H:6]([OH:13])[C@@H:7]([CH2:4][O:21][P:25]([OH:19])(=[O:20])[O:23][P:24]([OH:16])([OH:17])=[O:18])[O:22]2)[C:10](=[O:15])[N:11]=[C:9]1[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	244
in models (compartimentalized)	48

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-110095 reactomeM:R-ALL-110095 reactome:R-ALL-110720 reactomeM:R-ALL-110720 reactome:R-ALL-8851228 reactomeM:R-ALL-8851228 reactome:R-ALL-9726185 reactomeM:R-ALL-9726185 CHEBI:58369 chebi:58369 UJLXYODCHAELLY-XLPZGREQSA-K	dTDP 5'-O-[(phosphonatooxy)phosphinato]thymidine dTDP trianion dTDP(3-) thymidine 5'-diphosphate thymidine 5'-diphosphate trianion thymidine 5'-diphosphate(3-) thymidine 5'-pyrophosphate trianion thymidine 5'-pyrophosphate(3-)
bigg.metabolite:dtdp biggM:dtdp UJLXYODCHAELLY-XLPZGREQSA-K	DTDP
metacyc.compound:DTDP-GROUP metacycM:DTDP-GROUP UJLXYODCHAELLY-XLPZGREQSA-L	dTDP group dTDP
hmdb:HMDB0001274 UJLXYODCHAELLY-XLPZGREQSA-N	dTDP 2'-Deoxyribosylthymine 5'-(trihydrogen diphosphate) 2'-Deoxyribosylthymine 5'-(trihydrogen diphosphoric acid) Deoxy-TDP Deoxythymidine 5'-diphosphate Deoxythymidine 5'-diphosphoric acid TDP THYMIDINE-5'- diphosphATE THYMIDINE-5'- diphosphoric acid Thymidine 5'-diphosphate Thymidine 5'-diphosphoric acid Thymidine 5'-pyrophosphate Thymidine 5'-pyrophosphoric acid {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
CHEBI:18075 chebi:18075 UJLXYODCHAELLY-XLPZGREQSA-N	dTDP 2'-deoxyribosylthymine 5'-(trihydrogen diphosphate) Deoxythymidine 5'-diphosphate THYMIDINE-5'- DIPHOSPHATE deoxy-TDP thymidine 5'-(trihydrogen diphosphate) thymidine 5'-diphosphate thymidine 5'-pyrophosphate
kegg.compound:C00363 keggC:C00363 UJLXYODCHAELLY-XLPZGREQSA-N	dTDP Deoxythymidine 5'-diphosphate
sabiork.compound:1333 sabiorkM:1333 UJLXYODCHAELLY-XLPZGREQSA-N	dTDP Deoxythymidine 5'-diphosphate Thymidine 5'-diphosphate
seed.compound:cpd00297 seedM:cpd00297 UJLXYODCHAELLY-XLPZGREQSA-L	dTDP Deoxythymidine 5'-diphosphate deoxy-TDP dtdp thymidine 5'-(trihydrogen diphosphate) (9CI) thymidine-5'-diphosphate thymidine-diphosphate
metacyc.compound:TDP metacycM:TDP UJLXYODCHAELLY-XLPZGREQSA-K	dTDP TDP deoxy-TDP thymidine 5'-(trihydrogen diphosphate) (9CI) thymidine-5'-diphosphate thymidine-diphosphate
vmhM:dtdp vmhmetabolite:dtdp UJLXYODCHAELLY-XLPZGREQSA-K	dTDP {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
hmdb:HMDB01274 chebi:10500 chebi:14077 chebi:26998 chebi:46061 biggM:M_dtdp keggC:M_C00363 seedM:M_cpd00297 vmhM:M_dtdp	secondary/obsolete/fantasy identifier