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CHEBI:18380 - 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate
| Formula | C68H129N2O20P |
| Net Charge | 0 |
| Average Mass | 1325.748 |
| Monoisotopic Mass | 1324.88763 |
| SMILES | CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC |
| InChI | InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1 |
| InChIKey | HLDJGHAAKRKPAV-QDORLFPLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate (CHEBI:18380) has role Escherichia coli metabolite (CHEBI:76971) |
| 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate (CHEBI:18380) is a lipid As (CHEBI:25051) |
| 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate (CHEBI:18380) is conjugate acid of 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate(2−) (CHEBI:58466) |
| Incoming Relation(s) |
| 3-Deoxy-D-manno-octulosono-lipid(A) (CHEBI:28022) is a 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate (CHEBI:18380) |
| 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate(2−) (CHEBI:58466) is conjugate base of 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate (CHEBI:18380) |
| IUPAC Name |
|---|
| 2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate | KEGG COMPOUND |
| 2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate | KEGG COMPOUND |
| 2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate | KEGG COMPOUND |
| 2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate | KEGG COMPOUND |
| Lipid A disaccharide | KEGG COMPOUND |
| lipid A-disaccharide-1-phosphate | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| C04932 | KEGG COMPOUND |
| LMSL01040002 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4648351 | Beilstein |