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CHEBI:29554 - Chlorobiphenyl-desleucyl-vancomycin

ChEBI IDCHEBI:29554
ChEBI NameChlorobiphenyl-desleucyl-vancomycin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC72H71Cl3N8O23
Net Charge0
Average Mass1522.752
Monoisotopic Mass1520.36976
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@](C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@@H]1O
InChIInChI=1S/C72H71Cl3N8O23/c1-28-64(93)72(2,78-26-29-3-5-30(6-4-29)31-7-12-36(73)13-8-31)25-51(101-28)105-63-61(92)60(91)49(27-84)104-71(63)106-62-47-20-35-21-48(62)103-46-16-11-34(19-41(46)75)59(90)57-69(98)82-56(70(99)100)39-22-37(85)23-44(87)52(39)38-17-32(9-14-43(38)86)54(67(96)83-57)81-68(97)55(35)80-65(94)42(24-50(76)88)79-66(95)53(77)58(89)33-10-15-45(102-47)40(74)18-33/h3-23,28,42,49,51,53-61,63-64,71,78,84-87,89-93H,24-27,77H2,1-2H3,(H2,76,88)(H,79,95)(H,80,94)(H,81,97)(H,82,98)(H,83,96)(H,99,100)/t28-,42-,49+,51-,53+,54+,55+,56-,57-,58+,59+,60+,61-,63+,64+,71-,72-/m0/s1
InChIKeyAAPHCFFPXJQKHX-XDMXBEBWSA-N
ChEBI Ontology
Outgoing Relation(s)
Chlorobiphenyl-desleucyl-vancomycin (CHEBI:29554) is a polyol (CHEBI:26191)
Synonym  Source
Chlorobiphenyl-desleucyl-vancomycinKEGG COMPOUND
Manual XrefsDatabases
C12036KEGG COMPOUND