EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:147804 - [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-5-Amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate
| Formula | C28H55N3O26P2 |
| Net Charge | 0 |
| Average Mass | 911.691 |
| Monoisotopic Mass | 911.25490 |
| SMILES | NCCOP(=O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]4CO)[C@@H](OP(=O)(O)OCCN)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1a_1-5_2*N][a1122h-1a_1-5_2*OP^XOCCN/3O/3=O][a1122h-1a_1-5][a1122h-1a_1-5_6*OP^XOCCN/3O/3=O]/1-2-3-4/a4-b1_b6-c1_c2-d1 |
| InChI | InChI=1S/C28H55N3O26P2/c29-1-3-48-58(43,44)50-8-12-15(35)18(38)21(41)26(53-12)56-23-19(39)14(34)9(5-32)52-27(23)47-7-11-16(36)20(40)24(57-59(45,46)49-4-2-30)28(54-11)55-22-10(6-33)51-25(42)13(31)17(22)37/h9-28,32-42H,1-8,29-31H2,(H,43,44)(H,45,46)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23+,24+,25+,26-,27+,28-/m1/s1 |
| InChIKey | AYTFEHZTGSLPDO-VCBCGFDFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-5-Amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate (CHEBI:147804) is a oligosaccharide phosphate (CHEBI:16916) |