UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine

Molecular Formula: C₃₇H₅₈N₈O₂₇P₂

InChI: InChI=1/C37H58N8O27P2/c1-13(28(52)43-19(34(59)60)8-9-21(47)42-18(7-5-6-17(38)33(57)58)30(54)40-14(2)32(55)56)39-29(53)15(3)68-27-23(41-16(4)46)36(70-35(61)26(27)51)71-74(65,66)72-73(63,64)67-12-20-24(49)25(50)31(69-20)45-11-10-22(48)44-37(45)62/h10-11,13-15,17-20,23-27,31,35-36,49-51,61H,5-9,12,38H2,1-4H3,(H,39,53)(H,40,54)(H,41,46)(H,42,47)(H,43,52)(H,55,56)(H,57,58)(H,59,60)(H,63,64)(H,65,66)(H,44,48,62)/t13-,14+,15u,17?,18-,19+,20+,23+,24+,25+,26-,27+,31+,35-,36?/m0/s1/f/h39-44,55,57,59,63,65H

InChIKey: InChIKey=MPERPDHXJCFYIM-NXGUNSIGDV
SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C

Names:
    C04804
    UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine
    UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala
    (6S)-6-[[(4R)-4-[[(2S)-2-[2-[(3R,4R,5S,6S)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5,6-dihydroxy-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-2-amino-6-[[(1R)-1-carboxyethyl]carbamoyl]hexanoic acid

Registries:
    PubChem CID 440488
    PubChem ID 7366