| Preferred Name |
Chlorobiphenyl-desleucyl-vancomycin |
| Synonyms |
Chlorobiphenyl-desleucyl-vancomycin |
| ID |
http://purl.obolibrary.org/obo/CHEBI_29554 |
| charge |
0 |
| database_cross_reference |
KEGG:C12036 |
| formula |
C72H71Cl3N8O23 |
| has_exact_synonym |
Chlorobiphenyl-desleucyl-vancomycin |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:29554 |
| in_subset | |
| inchi |
InChI=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 |
| inchikey |
AAPHCFFPXJQKHX-XDMXBEBWSA-N |
| label |
Chlorobiphenyl-desleucyl-vancomycin |
| mass |
1522.736 |
| monoisotopicmass |
1520.36976 |
| notation |
CHEBI:29554 |
| prefLabel |
Chlorobiphenyl-desleucyl-vancomycin |
| smiles |
C[C@@H]1O[C@H](C[C@](C)(NCc2ccc(cc2)-c2ccc(Cl)cc2)[C@@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]3c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O)[C@@H]1NC(=O)[C@H](NC3=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@H](NC1=O)C(O)=O |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C405766 | Medical Subject Headings / 医学主题词表 | LOOM |