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CHEBI:209244 - A-90289 B

ChEBI IDCHEBI:209244
ChEBI NameA-90289 B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87N5O25S
Net Charge0
Average Mass1226.356
Monoisotopic Mass1225.54108
SMILESCOC1C(C)OC(OC(=O)CC(C)CC(=O)OC(CCCCCCCCCCC(C)C)CC(=O)OC2CN(C)C(C(OC3OC(CN)C(O)C3O)C3OC(n4ccc(=O)nc4=O)C(OS(=O)(=O)O)C3O)C(=O)N(C)C2C(=O)O)C(OC)C1OC
InChIInChI=1S/C53H87N5O25S/c1-27(2)18-16-14-12-10-11-13-15-17-19-30(77-34(60)22-28(3)23-35(61)80-52-47(75-9)46(74-8)42(73-7)29(4)76-52)24-36(62)78-32-26-56(5)38(48(66)57(6)37(32)50(67)68)43(82-51-40(64)39(63)31(25-54)79-51)44-41(65)45(83-84(70,71)72)49(81-44)58-21-20-33(59)55-53(58)69/h20-21,27-32,37-47,49,51-52,63-65H,10-19,22-26,54H2,1-9H3,(H,67,68)(H,55,59,69)(H,70,71,72)
InChIKeyICPWKXYVIFCCOW-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 B (CHEBI:209244) 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-[14-methyl-3-[3-methyl-5-oxo-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxypentanoyl]oxypentadecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid
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