Showing Metabocard for Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate (BASm0003915)
Common Name | Mur2ac(oyl-l-ala-gamma-d-glu-l-lys-d-ala-d-ala)-di-trans,octa-cis-undecaprenyl diphosphate |
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Description | Not Available |
Structure | |
Molecular Formula | C86H140N7O21P2 |
Average Mass | 1670.04300 |
Monoisotopic Mass | 1668.95940 |
IUPAC Name | Not Available |
Traditional Name | Not Available |
CAS Registry Number | Not Available |
SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-] |
InChI Identifier | InChI=1S/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/p-3/b58-32+,59-34+,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78-,79-,86-/m1/s1 |
InChI Key | SULOOAFLXMQJSF-OGDYFQGPSA-K |
CHEBI ID | CHEBI:60032 |
MiMeDB ID | MMDBc0056091 |
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 |