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CHEBI:199353 - A-90289 A

ChEBI IDCHEBI:199353
ChEBI NameA-90289 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87N5O25S
Net Charge0
Average Mass1226.356
Monoisotopic Mass1225.54108
SMILESCCCCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(OC2OC(CN)C(O)C2O)C2OC(n3ccc(=O)nc3=O)C(OS(=O)(=O)O)C2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OC1OC(C)C(OC)C(OC)C1OC
InChIInChI=1S/C53H87N5O25S/c1-9-10-11-12-13-14-15-16-17-18-19-20-30(77-34(60)23-28(2)24-35(61)80-52-47(75-8)46(74-7)42(73-6)29(3)76-52)25-36(62)78-32-27-56(4)38(48(66)57(5)37(32)50(67)68)43(82-51-40(64)39(63)31(26-54)79-51)44-41(65)45(83-84(70,71)72)49(81-44)58-22-21-33(59)55-53(58)69/h21-22,28-32,37-47,49,51-52,63-65H,9-20,23-27,54H2,1-8H3,(H,67,68)(H,55,59,69)(H,70,71,72)
InChIKeyQEIIFQMHVIQJFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SANK 60405 (ncbitaxon:689687) - PubMed (21587261)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
A-90289 A (CHEBI:199353) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-sulooxyoxolan-2-yl]methyl]-1,4-dimethyl-6-[3-[3-methyl-5-oxo-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxypentanoyl]oxyhexadecanoyloxy]-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
78443911ChemSpider