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vancomycin aglycone

CHEBI:CHEBI_47724

Definition

A peptide antibiotic that is vancomycin lacking the disaccharide moiety.

Chemical Information

Molecular Formula
C53H52Cl2N8O17
Molecular Mass
1143.92900
Charge
0
SMILES
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O)c(Cl)c2
InChI
InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39-,40-,41+,42-,43+,44-,45-/m1/s1
InChIKey
JHIKFOISFAQTJQ-YZANBJIASA-N

Alternative Names

  • Aglucovancomycin B
  • Balhimycin aglycon
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Reaxys:6049255
core#notation
CHEBI:47724

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Reaxys:6049255
oboInOwl#id
CHEBI:47724
core#notation
CHEBI:47724
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
chebi#is_tautomer_of
http://purl.obolibrary.org/obo/CHEBI_75954
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_77981
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_82699
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_77981
owl#someValuesFrom
t303284
owl#annotatedSource
t228242