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CHEBI:203467 - Liposidomycin M-(III)

ChEBI IDCHEBI:203467
ChEBI NameLiposidomycin M-(III)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H71N5O18
Net Charge0
Average Mass958.069
Monoisotopic Mass957.47941
SMILESCCCCCCCCCCCCCC(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/C44H71N5O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(63-30(53)20-24(2)19-29(51)52)21-31(54)64-27-23-47(3)33(40(59)48(4)32(27)42(60)61)38(67-43-37(58)34(55)26(22-45)65-43)39-35(56)36(57)41(66-39)49-18-17-28(50)46-44(49)62/h17-18,24-27,32-39,41,43,55-58H,5-16,19-23,45H2,1-4H3,(H,51,52)(H,60,61)(H,46,50,62)
InChIKeyJOJGOQZCIUYMNK-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 M-(III) (CHEBI:203467) 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)oxyhexadecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
78444046ChemSpider