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CMP-2-trimethylaminoethylphosphonate

MNXM91517 is deprecated and here replaced by MNXM1103500
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103500

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₁₄H₂₇N₄O₁₀P₂

charge

mass

473.11969

reference

chebi:3281

InChIKey

RNUGPSIGKYHQNQ-OJAKKHQRSA-O

InChI

InChI=1S/C14H26N4O10P2/c1-18(2,3)6-7-29(22,23)28-30(24,25)26-8-9-11(19)12(20)13(27-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1

SMILES

C[N+](C)(C)CCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd03380 seedM:cpd03380 CHEBI:3281 chebi:3281	CMP-2-trimethylaminoethylphosphonate CMP-N-trimethyl-2-aminoethylphosphonate
bigg.metabolite:cmpntm2amep biggM:cmpntm2amep	CMP-N-trimethyl-2-aminoethylphosphonate
hmdb:HMDB0060072	CMP-N-trimethyl-2-aminoethylphosphonate CMP-2-Trimethylaminoethylphosphonate CMP-2-Trimethylaminoethylphosphonic acid CMP-N-Trimethyl-2-aminoethylphosphonic acid [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][2-(trimethylazaniumyl)ethyl]phosphinic acid {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(2-(trimethylammonio)ethyl)phosphinic acid
kegg.compound:C05674 keggC:C05674	CMP-N-trimethyl-2-aminoethylphosphonate CMP-2-trimethylaminoethylphosphonate
hmdb:HMDB60072 biggM:M_cmpntm2amep keggC:M_C05674 seedM:M_cpd03380	secondary/obsolete/fantasy identifier