EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62576 - bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3−)

ChEBI IDCHEBI:62576
ChEBI Namebis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3−)
Stars
ASCII Namebis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3-)
DefinitionAn inositol phosphate oxoanion resulting from the removal of all three protons from the phosphate groups of bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate.
Last Modified2 December 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21O17P2
Net Charge-3
Average Mass499.231
Monoisotopic Mass499.02704
SMILESO=P([O-])([O-])O[C@H]1[C@@H](O)[C@@H](OP(=O)([O-])O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24O17P2/c13-1-2(14)5(17)10(6(18)3(1)15)28-31(25,26)29-12-8(20)4(16)7(19)11(9(12)21)27-30(22,23)24/h1-21H,(H,25,26)(H2,22,23,24)/p-3/t1-,2-,3+,4-,5-,6-,7-,8+,9+,10-,11+,12-/m0/s1
InChIKeyZFRNHZNPYSOZBU-MCUIPIIISA-K
ChEBI Ontology
Outgoing Relation(s)
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3−) (CHEBI:62576) is a inositol phosphate oxoanion (CHEBI:76301)
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3−) (CHEBI:62576) is conjugate base of bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate (CHEBI:62574)
Incoming Relation(s)
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate (CHEBI:62574) is conjugate acid of bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3−) (CHEBI:62576)
IUPAC Name 
(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
UniProt Name  Source
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphateUniProt
Manual XrefsDatabases
CPD-12856MetaCyc
Citations