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CHEBI:68239 - platensimycin B4

ChEBI IDCHEBI:68239
ChEBI Nameplatensimycin B4
Stars
ASCII Nameplatensimycin B4
DefinitionA monosaccharide derivative of platensimycin isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC30H37NO12
Net Charge0
Average Mass603.621
Monoisotopic Mass603.23158
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)ccc(C(=O)O)c5O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C30H37NO12/c1-28(18(33)5-8-30-10-13-9-16(25(28)30)43-29(13,2)12-30)7-6-19(34)31-20-15(4-3-14(21(20)35)26(39)40)41-27-24(38)23(37)22(36)17(11-32)42-27/h3-5,8,13,16-17,22-25,27,32,35-38H,6-7,9-12H2,1-2H3,(H,31,34)(H,39,40)/t13-,16+,17+,22+,23-,24+,25+,27+,28-,29+,30+/m1/s1
InChIKeyIHNOHYIMWXMKQI-KGDOMDPMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253) Strain: MA7327
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
platensimycin B4 (CHEBI:68239) has functional parent platensimycin (CHEBI:68236)
platensimycin B4 (CHEBI:68239) has role bacterial metabolite (CHEBI:76969)
platensimycin B4 (CHEBI:68239) is a aromatic amide (CHEBI:62733)
platensimycin B4 (CHEBI:68239) is a cyclic ether (CHEBI:37407)
platensimycin B4 (CHEBI:68239) is a cyclic ketone (CHEBI:3992)
platensimycin B4 (CHEBI:68239) is a monocarboxylic acid (CHEBI:25384)
platensimycin B4 (CHEBI:68239) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin B4 (CHEBI:68239) is a monosaccharide derivative (CHEBI:63367)
platensimycin B4 (CHEBI:68239) is a phenols (CHEBI:33853)
platensimycin B4 (CHEBI:68239) is a polycyclic cage (CHEBI:33640)
Incoming Relation(s)
platensimycin B4 methyl ester (CHEBI:68240) has functional parent platensimycin B4 (CHEBI:68239)
IUPAC Name 
3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-4-(β-L-glucopyranosyloxy)-2-hydroxybenzoic acid
Citations