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CHEBI:200111 - Caprazamycin E

ChEBI IDCHEBI:200111
ChEBI NameCaprazamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H83N5O22
Net Charge0
Average Mass1118.238
Monoisotopic Mass1117.55297
SMILESCCCCCCCCCCC[C@@H](CC(=O)O[C@H]1CN(C)[C@@H](C(O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)C(=O)N(C)[C@@H]1C(=O)O)OC(=O)C[C@H](C)CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C51H83N5O22/c1-9-10-11-12-13-14-15-16-17-18-28(73-32(58)21-26(2)22-33(59)76-50-45(71-8)44(70-7)41(69-6)27(3)72-50)23-34(60)74-30-25-54(4)36(46(65)55(5)35(30)48(66)67)42(78-49-40(64)37(61)29(24-52)75-49)43-38(62)39(63)47(77-43)56-20-19-31(57)53-51(56)68/h19-20,26-30,35-45,47,49-50,61-64H,9-18,21-25,52H2,1-8H3,(H,66,67)(H,53,57,68)/t26-,27+,28-,29+,30-,35-,36-,37+,38-,39+,40+,41+,42?,43-,44+,45+,47+,49-,50-/m0/s1
InChIKeyLJDLGVAITHKMOC-PVRDQFSGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (16060385)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Caprazamycin E (CHEBI:200111) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,5S,6S)-2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-6-[(3S)-3-[(3S)-3-methyl-5-oxo-5-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentanoyl]oxytetradecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
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