Chem
J-GLOBAL ID：200907088387173646   Nikkaji number：J2.748.286D

Oleandomycin 2′′-phosphoric acid

オレアンドマイシン2′′-りん酸
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： C35H62NO15P
Molecular formula furigana： C35-H62-N-O15-P
Molecular weight： 767.847
InChI： InChI=1S/C35H62NO15P/c1-16-14-35(15-45-35)32(39)19(4)27(37)18(3)22(7)48-33(40)21(6)30(49-26-13-25(44-11)28(38)23(8)47-26)20(5)29(16)50-34-31(51-52(41,42)43)24(36(9)10)12-17(2)46-34/h16-31,34,37-38H,12-15H2,1-11H3,(H2,41,42,43)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30?,31+,34-,35+/m0/s1
InChI key： XGECXLDCKVMKRN-IVWLATNDSA-N
SMILES： CO[C@H]1C[C@H](OC2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OP(=O)(O)O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O
Systematic name  (3)：
  • オレアンドマイシン2′′-りん酸
  • {[(2S,3R,4S,6R)-4-(ジメチルアミノ)-2-{[(3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-ヒドロキシ-12-{[(2R,4S,5S,6S)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-5,7,8,11,13,15-ヘキサメチル-4,10-ジオキソ-1,9-ジオキサスピロ[2.13]ヘキサデカン-14-イル]オキシ}-6-メチルオキサン-3-イル]オキシ}ホスホン酸
  • {[(2S,3R,4S,6R)-4-(dimethylamino)-2-{[(3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-12-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-14-yl]oxy}-6-methyloxan-3-yl]oxy}phosphonic acid
Other name (1)：
  • Oleandomycin 2′′-phosphoric acid
KEGG COMPOUND： C03796
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