PRD_001169

Teicoplanin pseudoaglycone

PRD_001169 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4MFQ.

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Chemical Component Summary

NameTeicoplanin pseudoaglycone
Identifiersn/a
FormulaC88 H97 Cl2 N9 O33
Molecular Weight1,879.658
TypePEPTIDE-LIKE
Isomeric SMILESCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O
InChIInChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57?,58?,59?,62-,63?,64+,65+,66?,67?,68?,69?,70?,71?,72?,73?,74?,75-,76+,77?,86?,87?,88?/m1/s1
InChIKeyBJNLLBUOHPVGFT-LFWWXMPDSA-N
CompositionPolymer Sequences: GHP-3MY-3FG-GHP-GHP-OMY-3FG
BIRD classANTIBIOTIC
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count229
Chiral Atom Count23
Bond Count242
Aromatic Bond Count42

Related Resource References

Resource NameReference
PubChem 135802367, 17748671
ChEBI CHEBI:34996