Mrv0541 01231511152D 33 34 0 0 0 0 999 V2000 7.0624 -3.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7769 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7769 -2.5535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2058 -0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4914 -1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4913 -2.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9203 -2.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9203 -1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6348 -0.9035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2058 -2.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2058 -3.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 -2.5535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6335 -1.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 -3.3785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0624 -2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 -3.7910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -2.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -5.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 -5.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -4.6160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4900 -5.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -3.7910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -2.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 -3.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -5.0285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -5.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 -3.7910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6322 -5.0285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16 12 1 0 0 0 0 16 3 1 0 0 0 0 12 15 1 0 0 0 0 15 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 4 1 0 0 0 0 8 7 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 10 7 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 1 0 0 0 14 13 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 6 0 0 0 3 6 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 M END > CHEBI:2413 > acetylblasticidin S > A member of the class of blasticidins that is blasticidin S in which the side-chain amino group is acetylated. > 3 > Acetylblasticidin S > 1-(4-{[(3S)-3-acetamido-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)-4-aminopyrimidin-2(1H)-one > C19H28N8O6 > 464.47560 > 464.21318 > 0 > CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)n1ccc(N)nc1=O)NC(C)=O)C(N)=N > InChI=1S/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11-,12-,15+,16-/m0/s1 > KKMQGSAQSNGBOY-RKLWJJNISA-N > 8522748 > C02808 > 236272; 23879927 $$$$