CHEBI:62574 - bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate
ChEBI ID CHEBI:62574
ChEBI ASCII Name bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate
Definition An inositol phosphate consisting of two units of 1L-myo-inositol phosphate in which the phosphate group of the first is joined to the 3-position of the second.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H24O17P2
Net Charge 0
Average Mass 502.25630
Monoisotopic Mass 502.04887
InChI InChI=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)/t1-,2-,3+,4-,5-,6-,7-,8+,9+,10-,11+,12-/m0/s1
InChIKey ZFRNHZNPYSOZBU-MCUIPIIISA-N
SMILES O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]2O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate (CHEBI:62574) is a inositol phosphate (CHEBI:24846)
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)
Incoming 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)
IUPAC Name
(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]cyclohexyl dihydrogen phosphate
Manual Xrefs Databases
C19799 KEGG COMPOUND
CPD-12856 MetaCyc
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Citations Waiting for Citations Types Sources
17526717 PubMed citation Europe PMC
6368527 PubMed citation Europe PMC
Last Modified
16 October 2015