CHEBI:77351 - novapikromycin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name novapikromycin(1+)
ChEBI ID CHEBI:77351
Definition An organic cation that is the conjugate acid of novapikromycin, 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 C28H48NO9
Net Charge +1
Average Mass 542.68150
Monoisotopic Mass 542.33236
InChI InChI=1S/C28H47NO9/c1-14-12-15(2)24(37-27-23(33)20(29(8)9)13-16(3)36-27)17(4)22(32)18(5)26(34)38-25(19(6)30)28(7,35)11-10-21(14)31/h10-11,14-20,23-25,27,30,33,35H,12-13H2,1-9H3/p+1/b11-10+/t14-,15+,16-,17+,18-,19-,20+,23-,24+,25-,27+,28+/m1/s1
InChIKey JGNNRPWTNULSRW-BLNRMBNUSA-O
SMILES C[C@@H](O)[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 novapikromycin(1+) (CHEBI:77351) is a ammonium ion derivative (CHEBI:35274)
novapikromycin(1+) (CHEBI:77351) is a organic cation (CHEBI:25697)
novapikromycin(1+) (CHEBI:77351) is conjugate acid of novapikromycin (CHEBI:77648)
Incoming novapikromycin (CHEBI:77648) is conjugate base of novapikromycin(1+) (CHEBI:77351)
IUPAC Name
(3R,5R,6S,7S,9R,11E,13S,14R)-13-hydroxy-14-[(1R)-1-hydroxyethyl]-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
novapikromycin UniProt
Manual Xref Database
CPD-15996 MetaCyc
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Citation Waiting for Citations Type Source
16724858 PubMed citation SUBMITTER
Last Modified
11 March 2014