CHEBI:75953 - devancoaminyl vancomycin zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name devancoaminyl vancomycin zwitterion
ChEBI ID CHEBI:75953
Definition A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of devancoaminyl vancomycin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C59H62Cl2N8O22
Net Charge 0
Average Mass 1306.07000
Monoisotopic Mass 1304.33557
InChI InChI=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)/t30-,31+,38-,41-,42-,43+,44-,45+,46-,47-,48-,49+,50-,59+/m1/s1
InChIKey QCHYVJAUGVHJHX-PZIRYZLHSA-N
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@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2
ChEBI Ontology
Outgoing devancoaminyl vancomycin zwitterion (CHEBI:75953) is a peptide zwitterion (CHEBI:60466)
devancoaminyl vancomycin zwitterion (CHEBI:75953) is tautomer of devancoaminyl vancomycin (CHEBI:47395)
Incoming devancoaminyl vancomycin (CHEBI:47395) is tautomer of devancoaminyl vancomycin zwitterion (CHEBI:75953)
Synonyms Sources
devancoaminyl-vancomycin UniProt
vancomycin pseudoaglycone SUBMITTER
Manual Xref Database
CPD-15744 MetaCyc
View more database links
Citations Waiting for Citations Types Sources
11294642 PubMed citation SUBMITTER
11470430 PubMed citation SUBMITTER
Last Modified
07 December 2013