PRD_000205

DESVANCOSAMINYL VANCOMYCIN

PRD_000205 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1RRV.

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Chemical Component Summary

NameDESVANCOSAMINYL VANCOMYCIN
Identifiersn/a
FormulaC59 H62 Cl2 N8 O22
Molecular Weight1,306.07
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)C[C@H](C(=O)N[C@@H]1[C@@H](c2ccc(c(c2)Cl)Oc3cc4cc(c3O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)Oc6ccc(cc6Cl)[C@H]([C@H]7C(=O)N[C@@H](c8cc(cc(c8-c9cc(ccc9O)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)O)C(=O)O)O)O)NC
InChIInChI=1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61)47(76)45-57(85)67-43(58(86)87)27-16-25(71)17-33(73)40(27)26-11-21(4-7-32(26)72)41(54(82)69-45)66-55(83)42(24)65-53(81)31(18-39(62)74)64-56(44)84/h4-9,11-17,20,30-31,38,41-50,59,63,70-73,75-79H,10,18-19H2,1-3H3,(H2,62,74)(H,64,84)(H,65,81)(H,66,83)(H,67,85)(H,68,80)(H,69,82)(H,86,87)
InChIKeyQCHYVJAUGVHJHX-UHFFFAOYSA-N
CompositionPolymer Sequences: MLU-OMZ-ASN-GHP-GHP-OMY-3FG
BIRD classANTIBIOTIC
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count153
Chiral Atom Count14
Bond Count161
Aromatic Bond Count30

Related Resource References

Resource NameReference
PubChem 447876, 71768141
ChEBI CHEBI:47395, CHEBI:75953