EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:62574 - bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate
| Formula | C12H24O17P2 |
| Net Charge | 0 |
| Average Mass | 502.255 |
| Monoisotopic Mass | 502.04887 |
| SMILES | O=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 |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 |
| Citations |
|---|