Chem
J-GLOBAL ID：200907089782530110   Nikkaji number：J470.408H

Leinamycin

レイナマイシン
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： C22H26N2O5[O-]S2[S+]
Molecular formula furigana： C22-H26-N2-O6-S3
Molecular weight： 510.640
InChI： InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1
InChI key： ZHTRILQJTPJGNK-FYBAATNNSA-N
SMILES： C[C@H]1NC(=O)C[C@@]2(CC/C(=C/[C@@H](O)C(=O)/C=C/C=C\c3csc1n3)/C)[S+]([O-])SC(=O)[C@]2(C)O
Systematic name  (3)：
  • (2R,4′R,6R,9E,11R,13E,15Z)-4′,11-ジヒドロキシ-2,4′,9-トリメチル-4,5′,12-トリオキソスピロ[19-チア-3,20-ジアザビシクロ[15.2.1]イコサン-6,3′-[1,2]ジチオラン]-1(20),9,13,15,17-ペンタエン2′-オキシド
  • (2R,3'R,6R,9E,11R,13E,15Z)-3',11-ジヒドロキシ-2,3',9-トリメチル-4,4',12-トリオキソ-19-チア-3,20-ジアザスピロ[ビシクロ[15.2.1]イコサン-6,2'-[1,5]ジチオラン]-1(20),9,13,15,17-ペンタエン-1'-イウム-1'-オラート
  • (2R,3'R,6R,9E,11R,13E,15Z)-3',11-dihydroxy-2,3',9-trimethyl-4,4',12-trioxo-19-thia-3,20-diazaspiro[bicyclo[15.2.1]icosane-6,2'-[1,5]dithiolane]-1(20),9,13,15,17-pentaen-1'-ium-1'-olate
Other name (3)：
  • レイナマイシン
  • Leinamycin
  • (2R,4′R,6R,9E,11R,13E,15Z)-4′,11-Dihydroxy-2,4′,9-trimethyl-4,5′,12-trioxospiro[19-thia-3,20-diazabicyclo[15.2.1]icosane-6,3′-[1,2]dithiolane]-1(20),9,13,15,17-pentene 2′-oxide
CAS registry number： 120500-15-4
KEGG COMPOUND： C15677
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