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CHEBI:43529 - ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER

Default Structure
ChEBI IDCHEBI:43529
ChEBI NameARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H28N9O10P
Net Charge0
Average Mass561.449
Monoisotopic Mass561.16967
SMILES[H]/N=C(/N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C([H])([H])C(=O)O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C18H28N9O10P/c19-14-11-15(25-6-24-14)27(7-26-11)16-13(30)12(29)9(36-16)5-35-38(33,34)37-10(28)4-23-8(17(31)32)2-1-3-22-18(20)21/h6-9,12-13,16,23,29-30H,1-5H2,(H,31,32)(H,33,34)(H2,19,24,25)(H4,20,21,22)/t8-,9+,12+,13+,16+/m0/s1
InChIKeyPLEMKERVZBXYMR-CWPZRQPOSA-N
ChEBI Ontology
Outgoing Relation(s)
ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER (CHEBI:43529) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,8S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-8-(3-carbamimidamidopropyl)-3-hydroxy-5-oxo-2,4-dioxa-7-aza-3-phosphanonan-9-oic acid 3-oxide (non-preferred name)PDBeChem
ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTERPDBeChem
Manual XrefsDatabases
IOTPDBeChem