For research use only. Not for therapeutic Use.
Catalog Number | M109998 |
CAS Number | 128269-59-0 |
Synonyms | NodRM-1 |
Molecular Formula | C46H78N4O24S |
Purity | ≥95% |
Storage | Desiccate at +4C |
IUPAC Name | [(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-[[(2E,9Z)-hexadeca-2,9-dienoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-oxohexyl] hydrogen sulfate |
InChI | InChI=1S/C46H78N4O24S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(59)50-33-38(62)37(61)29(20-52)69-44(33)73-42-31(22-54)71-46(35(40(42)64)49-26(4)57)74-43-30(21-53)70-45(34(39(43)63)48-25(3)56)72-41(28(58)23-68-75(65,66)67)36(60)27(19-51)47-24(2)55/h10-11,17-19,27-31,33-46,52-54,58,60-64H,5-9,12-16,20-23H2,1-4H3,(H,47,55)(H,48,56)(H,49,57)(H,50,59)(H,65,66,67)/b11-10-,18-17+/t27-,28+,29+,30+,31+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-/m0/s1 |
InChIKey | WNHQHAHAQJGIHG-RVAZZQNRSA-N |
SMILES | CCCCCCC=CCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC(C(COS(=O)(=O)O)O)C(C(C=O)NC(=O)C)O)CO)CO)CO)O)O |