CMP-N-acetyl-7-O-acetyl-beta-neuraminate

Properties Image Occurences in reactions MNX_ID MNXM148993 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C22H31N4O17P charge -2 mass 654.14328 reference metacycM:CPD-16881 InChIKey SXXZZRFINHAESH-BFFRMRRTSA-L InChI InChI=1S/C22H33N4O17P/c1-8(28)24-14-10(30)5-22(20(34)35,42-18(14)17(11(31)6-27)40-9(2)29)43-44(37,38)39-7-12-15(32)16(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,27,30-33H,5-7H2,1-2H3,(H,24,28)(H,34,35)(H,37,38)(H2,23,25,36)/p-2/t10-,11+,12+,14+,15+,16+,17+,18+,19+,22+/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)[O-])O[C@H]1[C@H](OC(C)=O)[C@H](O)CO

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Deprecated MNXref IDs graph