Discuss This Drug

vancomycin aglycone zwitterion

CHEBI:CHEBI_75954

Definition

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of vancomycin aglycone.

Chemical Information

Molecular Formula
C53H52Cl2N8O17
Molecular Mass
1143.92900
Charge
0
SMILES
C[NH2+][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

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
PMID:11470430
core#notation
CHEBI:75954

Additional References

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Additional Attributes

chebi#is_tautomer_of
http://purl.obolibrary.org/obo/CHEBI_47724
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_77981
owl#someValuesFrom
t296886
owl#annotatedSource
t286622
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
PMID:11470430
oboInOwl#id
CHEBI:75954
core#notation
CHEBI:75954
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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