Showing Metabocard for UDP-2-N,3-O-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine (BASm0006661)
| Common Name | Udp-2-n,3-o-bis[(3r)-3-hydroxytetradecanoyl]-alpha-d-glucosamine |
|---|---|
| Description | UDP-2,3-bis(O-(3R)-3-Hydroxymyristoyl)-alpha-D-glucosamine is an intermediate in Lipid IVA synthesis. It is a substrate for the enzyme UDP-2,3-diacylglucosamine diphosphatase which catalyzes the reaction UDP-2,3-bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosamine + H2O = 2,3-bis[(3R)-3-hydroxymyristoyl]-beta-D-glucosaminyl 1-phosphate + UMP. |
| Structure | |
| Molecular Formula | C43H75N3O20P2 |
| Average Mass | 1016.01120 |
| Monoisotopic Mass | 1015.44192 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC |
| InChI Identifier | InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/p-2/t29-,30-,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1 |
| InChI Key | KOJCFMYSTWNMQW-RUAJDYCTSA-L |
| CHEBI ID | CHEBI:78847 |
| MiMeDB ID | MMDBc0031769 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |