Chem
J-GLOBAL ID：200907034513450925   Nikkaji number：J122.710F

Lienomycin

抗生物質2995
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： C67H107NO18
Molecular formula furigana： C67-H107-N-O18
Molecular weight： 1214.582
InChI： InChI=1S/C67H107NO18/c1-6-7-25-49-26-18-19-34-59(77)47(4)63(80)45(2)24-16-14-12-10-8-9-11-13-15-17-35-62(79)85-58(33-22-29-50(69)27-20-28-51(70)32-23-38-68)43-56(75)41-54(73)39-52(71)30-21-31-53(72)40-55(74)42-57(76)44-60(78)46(3)61(37-36-49)86-67-66(83)65(82)64(81)48(5)84-67/h6,8-16,19-22,24,27,31,33-34,36,45-48,50-59,61,63-67,69-77,80-83H,1,7,17-18,23,25-26,28-30,32,35,37-44,68H2,2-5H3/t45?,46?,47?,48-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,61?,63?,64-,65+,66+,67-/m0/s1
InChI key： YUGKVAOWNQMSPU-BQRQZDNESA-N
SMILES： C[C@@H]1O[C@@H](OC2CC=C(CCC=C)CCC=CC(O)C(C)C(O)C(C)C=CC=CC=CC=CC=CCCC(=O)OC(CC(O)CC(O)CC(O)CC=CC(O)CC(O)CC(O)CC(=O)C2C)C=CCC(O)C=CCC(O)CCCN)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • リエノマイシン
  • 44-(11-アミノ-4,8-ジヒドロキシウンデカ-1,5-ジエン-1-イル)-23-(ブタ-3-エン-1-イル)-16,18,30,32,34,38,40,42-オクタヒドロキシ-15,17,27-トリメチル-26-{[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1-オキサシクロテトラテトラコンタ-5,7,9,11,13,19,23,35-オクタエン-2,28-ジオン
  • 44-(11-amino-4,8-dihydroxyundeca-1,5-dien-1-yl)-23-(but-3-en-1-yl)-16,18,30,32,34,38,40,42-octahydroxy-15,17,27-trimethyl-26-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-oxacyclotetratetraconta-5,7,9,11,13,19,23,35-octaene-2,28-dione
Other name (3)：
  • 抗生物質2995
  • Lienomycin
  • Antibiotic 2995
CAS registry number： 12710-02-0
KEGG COMPOUND： C15752
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