CHEBI:32105 - Rolitetracycline nitrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Rolitetracycline nitrate
ChEBI ID CHEBI:32105
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula 2C27H33N3O8.2HNO3.3H2O
Net Charge 0
Average Mass 1235.217
Monoisotopic Mass 1234.47651
InChI InChI=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
InChIKey JWHSGIRTFHZPGE-DPLGGHQZSA-N
SMILES [N+](O)(=O)[O-].C=1C=C2C(C(C=3[C@@](C[C@]4([H])[C@](C3O)(C(=O)C(=C(O)[C@H]4N(C)C)C(=O)NCN5CCCC5)O)([H])[C@]2(C)O)=O)=C(C1)O.O.[N+](O)(=O)[O-].C=6C=C7C(C(C=8[C@@](C[C@]9([H])[C@](C8O)(C(=O)C(=C(O)[C@H]9N(C)C)C(=O)NCN%10CCCC%10)O)([H])[C@]7(C)O)=O)=C(C6)O.O.O
ChEBI Ontology
Outgoing Rolitetracycline nitrate (CHEBI:32105) is a polymer (CHEBI:60027)
Synonym Source
Rolitetracycline nitrate KEGG COMPOUND
Manual Xrefs Databases
C12933 KEGG COMPOUND
D01486 KEGG DRUG
View more database links
Registry Number Type Source
26657-13-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014