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CHEBI:32105 - Rolitetracycline nitrate

ChEBI IDCHEBI:32105
ChEBI NameRolitetracycline nitrate
Stars
Last Modified28 July 2014
DownloadsMolfile
Formula2C27H33N3O8.3H2O.2HNO3
Net Charge0
Average Mass1235.217
Monoisotopic Mass1234.47651
SMILESO.O.O.O=[N+]([O-])O.O=[N+]([O-])O.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(=O)NCN4CCCC4)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)cccc1[C@@]2(C)O.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(=O)NCN4CCCC4)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)cccc1[C@@]2(C)O
InChIInChI=1S/2C27H33N3O8.2HNO3.3H2O/c2*1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30;2*2-1(3)4;;;/h2*6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36);2*(H,2,3,4);3*1H2/t2*14-,15-,20-,26+,27-;;;;;/m00...../s1
InChIKeyJWHSGIRTFHZPGE-DPLGGHQZSA-N
ChEBI Ontology
Outgoing Relation(s)
Rolitetracycline nitrate (CHEBI:32105) is a polymer (CHEBI:60027)
Synonym  Source
Rolitetracycline nitrateKEGG COMPOUND
Manual XrefsDatabases
C12933KEGG COMPOUND
D01486KEGG DRUG
Registry NumbersSources
CAS:26657-13-6KEGG COMPOUND