EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75267 - pipacycline(1+)

ChEBI IDCHEBI:75267
ChEBI Namepipacycline(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of pipacycline.
Last Modified20 August 2013
SubmitterSteve
DownloadsMolfile
FormulaH.C29H38N4O9
Net Charge+1
Average Mass587.650
Monoisotopic Mass587.27116
SMILES[H+].[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(=O)NCN4CCN(CCO)CC4)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)cccc1[C@@]2(C)O
InChIInChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/p+1/t16-,17-,22-,28+,29-/m0/s1
InChIKeyXATZHCXBMKRRDO-REHNUXHNSA-O
ChEBI Ontology
Outgoing Relation(s)
pipacycline(1+) (CHEBI:75267) is a organic cation (CHEBI:25697)
pipacycline(1+) (CHEBI:75267) is conjugate acid of pipacycline (CHEBI:75262)
Incoming Relation(s)
penimepicycline (CHEBI:75258) has part pipacycline(1+) (CHEBI:75267)
pipacycline (CHEBI:75262) is conjugate base of pipacycline(1+) (CHEBI:75267)
Synonym  Source
pipacycline cationChEBI