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CHEBI:217635 - Liposidomycin-C-(I)

ChEBI IDCHEBI:217635
ChEBI NameLiposidomycin-C-(I)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N5O21S
Net Charge0
Average Mass1010.079
Monoisotopic Mass1009.40493
SMILESCCCCCCCCCCCC(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/C42H67N5O21S/c1-5-6-7-8-9-10-11-12-13-14-23(63-28(51)18-22(2)17-27(49)50)19-29(52)64-25-21-45(3)31(38(56)46(4)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(20-43)65-41)36-33(54)34(55)39(66-36)47-16-15-26(48)44-42(47)59/h15-16,22-25,30-37,39,41,53-55H,5-14,17-21,43H2,1-4H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)
InChIKeyNUIXFOOZWGAKIP-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-C-(I) (CHEBI:217635) 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-[3-(4-carboxy-3-methylbutanoyl)oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
8593962ChemSpider