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CHEBI:206881 - Liposidomycin A

ChEBI IDCHEBI:206881
ChEBI NameLiposidomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H67N5O21S
Net Charge0
Average Mass1034.101
Monoisotopic Mass1033.40493
SMILESCCCCC/C=C\C/C=C\CCCC(CC(=O)OC1CN(C)C(C(OC2OC(CN)C(O)C2OS(=O)(=O)O)C2OC(n3ccc(=O)nc3=O)C(O)C2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O
InChIInChI=1S/C44H67N5O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(65-30(53)20-24(2)19-29(51)52)21-31(54)66-27-23-47(3)33(40(58)48(4)32(27)42(59)60)37(69-43-39(70-71(62,63)64)34(55)26(22-45)67-43)38-35(56)36(57)41(68-38)49-18-17-28(50)46-44(49)61/h9-10,12-13,17-18,24-27,32-39,41,43,55-57H,5-8,11,14-16,19-23,45H2,1-4H3,(H,51,52)(H,59,60)(H,46,50,61)(H,62,63,64)/b10-9-,13-12-
InChIKeyLJAKBFLSOINZOO-UTJQPWESSA-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 A (CHEBI:206881) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[5-(aminomethyl)-4-hydroxy-3-sulooxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[(7Z,10Z)-3-(4-carboxy-3-methylbutanoyl)oxyhexadeca-7,10-dienoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
8186885ChemSpider