CHEBI:76800 - pikromycin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pikromycin(1+)
ChEBI ID CHEBI:76800
Definition An organic cation that is the conjugate acid of pikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C28H48NO8
Net Charge +1
Average Mass 526.68260
Monoisotopic Mass 526.33744
InChI InChI=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
InChIKey UZQBOFAUUTZOQE-VSLWXVDYSA-O
SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@]1(C)O
ChEBI Ontology
Outgoing 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 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
Synonym Source
pikromycin UniProt
Manual Xref Database
CPD-13835 MetaCyc
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Last Modified
11 March 2014