PRD_001158

Teicoplanin pseudoaglycone

PRD_001158 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4MFL.

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Chemical Component Summary

NameTeicoplanin pseudoaglycone
Identifiersn/a
FormulaC78 H79 Cl2 N9 O32
Molecular Weight1,725.409
TypePEPTIDE-LIKE
Isomeric SMILESCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)N)Oc7ccc(cc7Cl)C[C@@H]8C(=O)N[C@@H](c9cc(cc(c9)Oc1cc(ccc1O)[C@H](C(=O)N8)N)O)C(=O)N[C@H]5C(=O)N[C@@H]1c3ccc(c(c3)-c3c(cc(cc3O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H](NC(=O)[C@H]2NC1=O)C(=O)O)O)CO)O)O
InChIInChI=1S/C78H79Cl2N9O32/c1-25(93)83-58-64(102)61(99)49(23-91)118-77(58)120-67-29-5-9-43(38(80)15-29)115-47-18-31-17-46(68(47)121-76-53(82)63(101)60(98)48(22-90)117-76)114-42-8-2-26(10-37(42)79)11-39-69(105)85-55(30-12-32(94)19-34(13-30)113-44-16-27(3-7-41(44)97)52(81)70(106)84-39)72(108)87-56(31)73(109)86-54-28-4-6-40(96)35(14-28)51-36(57(75(111)112)88-74(110)59(67)89-71(54)107)20-33(95)21-45(51)116-78-66(104)65(103)62(100)50(24-92)119-78/h2-10,12-21,39,48-50,52-67,76-78,90-92,94-104H,11,22-24,81-82H2,1H3,(H,83,93)(H,84,106)(H,85,105)(H,86,109)(H,87,108)(H,88,110)(H,89,107)(H,111,112)/t39-,48?,49?,50?,52-,53?,54?,55+,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,76?,77?,78?/m1/s1
InChIKeyNROYOOGFEWKMMB-YXSILKSHSA-N
CompositionPolymer Sequences: GHP-3MY-3FG-GHP-GHP-OMY-3FG
BIRD classANTIBIOTIC
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count200
Chiral Atom Count23
Bond Count213
Aromatic Bond Count42

Related Resource References

Resource NameReference
PubChem 16137426