Mrv0541 02191416262D 35 35 0 0 1 0 999 V2000 7.1543 -16.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 -15.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 -17.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 -16.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7441 -17.0767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2995 -17.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0162 -17.4760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7371 -16.2517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4437 -17.4930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -16.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8431 -17.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5916 -17.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 -18.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 -15.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -15.8343 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 10.7328 -12.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7328 -13.3592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0184 -13.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 -13.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5895 -13.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5895 -14.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8751 -13.3592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1605 -13.7716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1605 -14.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -15.0092 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 -13.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 -12.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 -13.7716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 -13.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3026 -13.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3026 -14.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 -13.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 -13.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 -14.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1617 -13.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 4 2 1 1 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 6 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 7 13 1 1 0 0 0 8 14 1 0 0 0 0 8 15 1 1 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 25 15 1 0 0 0 0 M END > CHEBI:77008 > 1beta-glutathionylseleno-N-acetyl-D-galactosamine > A glutathione conjugate obtained by formation of a thioselenide link between the thiol group of glutathione and the selenol group of 1-seleno-N-acetyl-D-galactosamine. > 3 > selenosugar A; GSSebGalNac; GSSe-beta-GalNAc > (2S)-5-({(2R)-3-({[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]selanyl}sulfanyl)-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-2-amino-5-oxopentanoic acid > C18H30N4O11SSe > 589.48000 > 590.07970 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1[Se]SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O > InChI=1S/C18H30N4O11SSe/c1-7(24)21-13-15(29)14(28)10(5-23)33-18(13)35-34-6-9(16(30)20-4-12(26)27)22-11(25)3-2-8(19)17(31)32/h8-10,13-15,18,23,28-29H,2-6,19H2,1H3,(H,20,30)(H,21,24)(H,22,25)(H,26,27)(H,31,32)/t8-,9-,10+,13+,14-,15+,18-/m0/s1 > HQOJMKFQHAKPHO-YOHQSKSESA-N > 16600319 $$$$