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CMP-2-trimethylaminoethylphosphonate

PropertiesImage
MNX_IDMNXM1103500 Image of MNXM1103500
referencechebi:3281
formulaC14H27N4O10P2
global charge1
mol weight473.336
InChIKeyRNUGPSIGKYHQNQ-OJAKKHQRSA-O
InChIInChI=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
SMILESC[N+](C)(C)CCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t9-,11-,12-,13-/m1/s1 Image of MNXM1103500
SMILES (mnx)[CH3:1][N+:18]([CH3:2])([CH3:3])[CH2:6][CH2:7][P:29](=[O:22])([OH:23])[O:28][P:30](=[O:24])([O-:25])[O:26][CH2:8][C@@H:9]1[C@@H:11]([OH:19])[C@@H:12]([OH:20])[C@H:13]([N:17]2[CH:5]=[CH:4][C:10](=[NH:15])[N:16]=[C:14]2[OH:21])[O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd03380
seedM:cpd03380
CHEBI:3281
chebi:3281
RNUGPSIGKYHQNQ-OJAKKHQRSA-M
RNUGPSIGKYHQNQ-OJAKKHQRSA-O 		CMP-2-trimethylaminoethylphosphonate
CMP-N-trimethyl-2-aminoethylphosphonate

bigg.metabolite:cmpntm2amep
biggM:cmpntm2amep
RNUGPSIGKYHQNQ-OJAKKHQRSA-O 		CMP-N-trimethyl-2-aminoethylphosphonate
hmdb:HMDB0060072
RNUGPSIGKYHQNQ-OJAKKHQRSA-O 		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
RNUGPSIGKYHQNQ-OJAKKHQRSA-O 		CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate

vmhM:cmpntm2amep
vmhmetabolite:cmpntm2amep
RNUGPSIGKYHQNQ-OJAKKHQRSA-M 		CMP-N-trimethyl-2-aminoethylphosphonate
[({[(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

hmdb:HMDB60072
biggM:M_cmpntm2amep
keggC:M_C05674
seedM:M_cpd03380
vmhM:M_cmpntm2amep 		secondary/obsolete/fantasy identifier