EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H53NO21 |
| Net Charge | 0 |
| Average Mass | 751.729 |
| Monoisotopic Mass | 751.31101 |
| SMILES | NCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C29H53NO21/c30-4-2-1-3-5-44-27-23(19(40)15(36)11(7-32)46-27)50-29-25(21(42)17(38)13(9-34)48-29)51-28-24(20(41)16(37)12(8-33)47-28)49-26-22(43)18(39)14(35)10(6-31)45-26/h10-29,31-43H,1-9,30H2/t10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27+,28-,29-/m1/s1 |
| InChIKey | RAQBKDFPHZJGEV-QGGRMSCQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-ManpO[CH2]5NH2 (CHEBI:747109) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 5-aminopentyl α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranoside |
| Synonym | Source |
|---|---|
| (2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5S,6R)-2-[(5-aminopentyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | ChEBI |
| Citations |
|---|