CHEBI:77350 - neopikromycin(1+)

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ChEBI Name neopikromycin(1+)
ChEBI ID CHEBI:77350
Definition An organic cation obtained by protonation of the tertiary amino function of neopikromycin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H48NO8
Net Charge +1
Average Mass 526.68210
Monoisotopic Mass 526.33744
InChI InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
InChIKey SXXXXTQMWPXIES-VJNSTPMQSA-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@H]1C
Metabolite of Species Details
Streptomyces venezuelae (NCBI:txid54571) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing neopikromycin(1+) (CHEBI:77350) has role bacterial metabolite (CHEBI:76969)
neopikromycin(1+) (CHEBI:77350) is a ammonium ion derivative (CHEBI:35274)
neopikromycin(1+) (CHEBI:77350) is a organic cation (CHEBI:25697)
neopikromycin(1+) (CHEBI:77350) is conjugate acid of neopikromycin (CHEBI:85614)
Incoming neopikromycin (CHEBI:85614) is conjugate base of neopikromycin(1+) (CHEBI:77350)
IUPAC Name
(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
Synonym Source
neopikromycin UniProt
Manual Xref Database
CPD-15997 MetaCyc
View more database links
Citation Type Source
16724858 PubMed citation SUBMITTER
Last Modified
30 April 2015