CHEBI:77353 - neomethymycin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name neomethymycin(1+)
ChEBI ID CHEBI:77353
Definition An organic cation that is the conjugate acid of neomethymycin, 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
Download Molfile XML SDF
Formula C25H44NO7
Net Charge +1
Average Mass 470.61880
Monoisotopic Mass 470.31123
InChI InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/p+1/b10-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1
InChIKey UEIVQYHYALXCBD-OTUJEKPESA-O
SMILES C[C@@H](O)[C@H]1OC(=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
ChEBI Ontology
Outgoing neomethymycin(1+) (CHEBI:77353) is a ammonium ion derivative (CHEBI:35274)
neomethymycin(1+) (CHEBI:77353) is a organic cation (CHEBI:25697)
neomethymycin(1+) (CHEBI:77353) is conjugate acid of neomethymycin (CHEBI:29656)
Incoming neomethymycin (CHEBI:29656) is conjugate base of neomethymycin(1+) (CHEBI:77353)
IUPAC Name
(3R,4S,5S,7R,9E,11R,12S)-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
Synonym Source
neomethymycin UniProt
Manual Xref Database
CPD-13833 MetaCyc
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Citation Waiting for Citations Type Source
11720530 PubMed citation SUBMITTER
Last Modified
11 March 2014