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CHEBI:62566 - CDP-1L-myo-inositol

ChEBI IDCHEBI:62566
ChEBI NameCDP-1L-myo-inositol
Stars
ASCII NameCDP-1L-myo-inositol
DefinitionA nucleotide conjugate consisting of CDP joined at the 1L-position of myo-inositol via a diphosphate linkage.
Last Modified8 July 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H25N3O16P2
Net Charge0
Average Mass565.318
Monoisotopic Mass565.07100
SMILESNc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1
InChIKeyFWZKVMBRYZSGFS-WRUQXNMMSA-N
ChEBI Ontology
Outgoing Relation(s)
CDP-1L-myo-inositol (CHEBI:62566) has functional parent myo-inositol (CHEBI:17268)
CDP-1L-myo-inositol (CHEBI:62566) has functional parent CDP (CHEBI:17239)
CDP-1L-myo-inositol (CHEBI:62566) is a nucleotide conjugate (CHEBI:47784)
CDP-1L-myo-inositol (CHEBI:62566) is conjugate acid of CDP-1L-myo-inositol(2−) (CHEBI:62573)
Incoming Relation(s)
CDP-1L-myo-inositol(2−) (CHEBI:62573) is conjugate base of CDP-1L-myo-inositol (CHEBI:62566)
IUPAC Name 
5'-O-{hydroxy[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]phosphoryl}cytidine
Synonym  Source
CDP-3D-myo-inositolChEBI
Manual XrefsDatabases
CPD-12855MetaCyc
Citations