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CHEBI:197888 - Liposidomycin X-(III)

ChEBI IDCHEBI:197888
ChEBI NameLiposidomycin X-(III)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H65N5O18
Net Charge0
Average Mass915.988
Monoisotopic Mass915.43246
SMILESCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(OC2OC(CN)C(O)C2O)C2OC(n3ccc(=O)nc3=O)C(O)C2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O
InChIInChI=1S/C41H65N5O18/c1-5-6-7-8-9-10-11-12-13-22(60-27(50)17-21(2)16-26(48)49)18-28(51)61-24-20-44(3)30(37(56)45(4)29(24)39(57)58)35(64-40-34(55)31(52)23(19-42)62-40)36-32(53)33(54)38(63-36)46-15-14-25(47)43-41(46)59/h14-15,21-24,29-36,38,40,52-55H,5-13,16-20,42H2,1-4H3,(H,48,49)(H,57,58)(H,43,47,59)
InChIKeyVVLFISHNJLAURF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SN-1061M (ncbitaxon:722721) - PubMed (9727391)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Liposidomycin X-(III) (CHEBI:197888) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxytridecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
78443863ChemSpider