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CHEBI:46227 - N-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid

ChEBI IDCHEBI:46227
ChEBI NameN-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid
Stars
ASCII NameN-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid
Last Modified3 December 2014
DownloadsMolfile
FormulaC27H38N7O12PS
Net Charge0
Average Mass715.679
Monoisotopic Mass715.20368
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)c1c([H])c([H])c(N(C(=O)C([H])([H])SC([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])OP(=O)(O[H])O[H])C([H])([H])C([H])([H])C([H])([H])c2c(N([H])[H])nc(N([H])[H])n([H])c2=O)c([H])c1[H]
InChIInChI=1S/C27H38N7O12PS/c28-23-18(25(40)33-27(29)32-23)4-3-12-34(21(36)15-48-14-20(35)30-11-1-2-13-46-47(43,44)45)17-7-5-16(6-8-17)24(39)31-19(26(41)42)9-10-22(37)38/h5-8,19H,1-4,9-15H2,(H,30,35)(H,31,39)(H,37,38)(H,41,42)(H2,43,44,45)(H5,28,29,32,33,40)/t19-/m0/s1
InChIKeyWIBNWPBCQGWSJV-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid (CHEBI:46227) is a N-acyl-L-glutamic acid (CHEBI:21650)
N-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid (CHEBI:46227) is a aminopyrimidine (CHEBI:38338)
N-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid (CHEBI:46227) is a monoalkyl phosphate (CHEBI:25381)
N-[(4-{[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl](2-[(4-phosphonooxybutyl)carbamoylmethylsulfanyl]acetyl)amino}phenyl)carbonyl]-L-glutamic acid (CHEBI:46227) is a pyrimidone (CHEBI:38337)
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