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CHEBI:76800 - pikromycin(1+)

ChEBI IDCHEBI:76800
ChEBI Namepikromycin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of pikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified11 March 2014
SubmitterKAX
DownloadsMolfile
FormulaC28H48NO8
Net Charge+1
Average Mass526.691
Monoisotopic Mass526.33744
SMILESCC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@]1(C)O
InChIInChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/p+1/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
InChIKeyUZQBOFAUUTZOQE-VSLWXVDYSA-O
ChEBI Ontology
Outgoing Relation(s)
pikromycin(1+) (CHEBI:76800) is a ammonium ion derivative (CHEBI:35274)
pikromycin(1+) (CHEBI:76800) is a organic cation (CHEBI:25697)
pikromycin(1+) (CHEBI:76800) is conjugate acid of pikromycin (CHEBI:29665)
Incoming Relation(s)
pikromycin (CHEBI:29665) is conjugate base of pikromycin(1+) (CHEBI:76800)
IUPAC Name 
(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
UniProt Name  Source
pikromycinUniProt
Manual XrefsDatabases
CPD-13835MetaCyc