Mrv0541 10011416202D 71 74 0 0 1 0 999 V2000 18.6478 -25.2659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 -26.0909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3624 -26.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 -27.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 -27.7409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9334 -27.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2189 -27.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5044 -27.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7900 -27.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0755 -27.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0768 -26.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7900 -28.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5044 -28.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0755 -28.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 -28.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 -28.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9334 -28.9784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9334 -26.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2189 -26.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9334 -29.8034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2189 -30.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 -30.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 -31.0409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 -29.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5044 -29.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7900 -30.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 -31.4534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3624 -32.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 -32.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0768 -31.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0768 -30.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7913 -31.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5044 -26.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7900 -26.0909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0755 -26.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7900 -25.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0755 -24.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5044 -24.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7913 -31.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0769 -31.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5059 -31.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2203 -31.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5059 -32.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5058 -31.0409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2202 -31.4534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5058 -30.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9352 -31.0408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2202 -29.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7911 -29.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2224 -32.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7195 -31.2967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9363 -30.2157 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.2053 -30.6299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.7213 -29.9618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.7196 -29.1363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4334 -28.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0044 -28.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4321 -27.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0031 -27.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7170 -27.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0303 -30.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9734 -32.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2880 -27.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2906 -29.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7157 -26.6613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4352 -29.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1431 -31.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 -28.1596 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 24.4289 -26.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1446 -26.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4263 -25.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 6 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 3 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 5 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 20 17 1 6 0 0 0 22 24 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 27 23 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 26 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 45 44 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 46 2 0 0 0 0 44 32 1 1 0 0 0 46 49 1 0 0 0 0 45 50 1 1 0 0 0 51 47 1 0 0 0 0 52 47 1 0 0 0 0 53 51 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 56 55 1 0 0 0 0 57 55 1 0 0 0 0 58 56 2 0 0 0 0 59 57 1 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 54 55 1 0 0 0 0 53 61 1 6 0 0 0 51 62 1 1 0 0 0 59 63 1 0 0 0 0 57 64 2 0 0 0 0 60 65 2 0 0 0 0 54 66 1 6 0 0 0 47 67 1 6 0 0 0 35 68 1 0 0 0 0 10 68 1 0 0 0 0 40 68 1 0 0 0 0 69 65 1 4 0 0 0 70 69 1 0 0 0 0 69 71 2 0 0 0 0 M END > CHEBI:83215 > albomycin delta2 > An iron(III) hydroxamate in which desferrialbomycin δ2(3−) is complexed to iron(III). > 3 > albomycin delta(2); [N(5)-acetyl-N(5)-(hydroxy-kappaO)-L-ornithyl-N(5)-acetyl-N(5)-(hydroxy-kappaO)-L-ornithyl-N(5)-acetyl-N(5)-(hydroxy-kappaO)-L-ornithyl-L-seryl-(3S)-3-{(2R,3R,4R,5R)-5-[4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrothiophen-2-yl}-D-serinato(3-)]iron > iron(3+) N(5)-acetyl-N(5)-oxido-L-ornithyl-N(5)-acetyl-N(5)-oxido-L-ornithyl-N(5)-acetyl-N(5)-oxido-L-ornithyl-L-seryl-(3S)-3-{(2R,3R,4R,5R)-5-[4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrothiophen-2-yl}-D-serine > C37H57FeN12O18S > 1045.82800 > 1045.29839 > 0 > CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1cc\c(=N/C(N)=O)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O > InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+;/m0./s1 > RQZRKFJHRUDTLB-IDJYBIRTSA-N > 11217799; 22704654 $$$$