Chem
J-GLOBAL ID：200907090857198505   Nikkaji number：J332.125H

Teicoplanin A2-2

テイコプラニンA2-2
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C88H97Cl2N9O33
Molecular formula furigana： C88-H97-CL2-N9-O33
Molecular weight： 1879.670
InChI： InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62+,63-,64?,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
InChI key： GHOXVFYORXUCPY-QAAIQGINSA-N
SMILES： CC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)C(NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2C(NC1=O)C(=O)O)c5)cc3Cl
Systematic name  (3)：
  • 34-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-22,31-ジクロロ-7-デメチル-64-O-デメチル-19-デオキシ-56-O-[2-デオキシ-2-[(8-メチル-1-オキソノニル)アミノ]-β-D-グルコピラノシル]-42-O-α-D-マンノピラノシルリストマイシンAアグリコン
  • (1S,2R,19R,22S,37R,40R)-22-アミノ-63,65-ジクロロ-64-{[(2S,3R,4R,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-(8-メチルノナンアミド)オキサン-2-イル]オキシ}-2-{[(2R,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-26,31,44,49-テトラヒドロキシ-21,35,38,54,56,59-ヘキサオキソ-47-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-7,13,28-トリオキサ-20,36,39,53,55,58-ヘキサアザウンデカシクロ[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]ヘキサヘキサコンタ-3,5,8,10,12(64),14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-ヘンイコサエン-52-カルボン酸
  • (1S,2R,19R,22S,37R,40R)-22-amino-63,65-dichloro-64-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(8-methylnonanamido)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
Other name (3)：
  • テイコプラニンA2-2
  • Teicoplanin A2-2
  • 34-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(8-methyl-1-oxononyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosylristomycin A aglycone
CAS registry number： 91032-26-7
KEGG COMPOUND： C12046
Application (1)：
antibacterial action
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