Ketcher 05272110212D 1 1.00000 0.00000 0 39 38 0 0 0 999 V2000 20.9665 -3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0348 -6.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3781 -2.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6839 -2.7618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0273 -6.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8817 -3.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7401 -5.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0491 -6.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5184 -5.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3781 -4.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6914 -2.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4651 -4.3392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5334 -5.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3706 -2.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5334 -7.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9590 -3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0227 -5.7589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9046 -7.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2415 -4.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5409 -7.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5854 -2.5328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8817 -1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9665 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8892 -3.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5235 -7.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7747 -6.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2822 -6.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4656 -2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3931 -4.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5160 -7.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0912 -2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1523 -7.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7747 -5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3409 -2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0223 -6.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2110 -2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8995 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7133 -5.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7884 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 1 1 0 0 0 5 25 1 0 0 0 6 24 1 0 0 0 7 19 1 0 0 0 8 20 1 0 0 0 9 5 1 0 0 0 10 6 1 0 0 0 11 4 1 0 0 0 12 1 2 0 0 0 13 2 2 0 0 0 14 3 2 0 0 0 15 2 1 0 0 0 16 1 1 0 0 0 17 7 1 0 0 0 18 8 1 0 0 0 19 16 1 0 0 0 20 15 1 0 0 0 21 28 1 0 0 0 22 3 1 0 0 0 23 4 1 0 0 0 24 29 1 0 0 0 25 30 1 0 0 0 26 18 1 0 0 0 27 17 1 0 0 0 28 34 1 0 0 0 29 37 1 0 0 0 30 35 1 0 0 0 31 23 1 0 0 0 32 27 1 0 0 0 33 26 1 0 0 0 34 36 1 0 0 0 35 32 1 0 0 0 36 31 1 0 0 0 37 33 1 0 0 0 7 38 2 0 0 0 8 39 2 0 0 0 M END > CHEBI:4356 > desferrioxamine B > An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N1-(5-aminopentyl)-N1-hydroxy-N4-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator. > 3 > N(4)-{5-[acetyl(hydroxy)amino]pentyl}-N(1)-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N(1)-hydroxybutanediamide; DFOB; DFO; desferrioxamine-B; Desferrioxamine; deferrioxamine B; Deferrioxamine; Deferoxamin > N'-{5-[acetyl(hydroxy)amino]pentyl}-N-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N-hydroxybutanediamide > deferoxaminum; deferoxamine; deferoxamine; deferoxamina > C25H48N6O8 > 560.693 > 560.35336 > 0 > CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN > InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34) > UBQYURCVBFRUQT-UHFFFAOYSA-N > 2514118 > 70-51-9 > 70-51-9 > DB00746 > C06940 > D03670 > LSM-6541 > LMFA08020169 > 70-51-9 > Deferoxamine > 11239825; 18536609; 28156129; 28285915; 28318697; 28455567; 29182270; 30701380; 31035197; 31229836; 31846315; 32039778; 32572744; 32734456; 32856363; 33784308 $$$$