Chem
J-GLOBAL ID：201007011774805888   Nikkaji number：J2.779.940J

Demethyllactenocin

デメチルラクテノシン
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： C37H61NO14
Molecular formula furigana： C37-H61-N-O14
Molecular weight： 743.888
InChI： InChI=1S/C37H61NO14/c1-9-27-24(17-48-36-34(47)33(46)31(44)22(6)49-36)14-18(2)10-11-25(40)19(3)15-23(12-13-39)35(20(4)26(41)16-28(42)51-27)52-37-32(45)29(38(7)8)30(43)21(5)50-37/h10-11,13-14,19-24,26-27,29-37,41,43-47H,9,12,15-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,26-,27?,29+,30-,31-,32-,33-,34-,35?,36-,37+/m1/s1
InChI key： QZCOVMJUGCBXHV-KKEUADRWSA-N
SMILES： CCC1OC(=O)C[C@@H](O)[C@H](C)C(O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C
Systematic name  (3)：
  • 4′-O-デ(3-C-メチル-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシル)-2′′′-O,3′′′-O-ジデメチルチロシン[抗生物質]
  • 2-[(4R,5S,6S,7R,9R,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(ジメチルアミノ)-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-16-エチル-4-ヒドロキシ-5,9,13-トリメチル-2,10-ジオキソ-15-({[(2R,3R,4R,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)-1-オキサシクロヘキサデカ-11,13-ジエン-7-イル]アセトアルデヒド
  • 2-[(4R,5S,6S,7R,9R,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Other name (3)：
  • 4′-O-De(3-C-methyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)-2′′′-O,3′′′-O-didemethyltyrosine [antibiotic]
  • Demethyllactenocin
  • デメチルラクテノシン
KEGG COMPOUND： C12003
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