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CHEBI:208653 - Ulleungmycin A

ChEBI IDCHEBI:208653
ChEBI NameUlleungmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58ClN9O8
Net Charge0
Average Mass804.390
Monoisotopic Mass803.40969
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2cnc3ccc(Cl)cc23)NC(=O)[C@@H]([C@@H](O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O
InChIInChI=1S/C38H58ClN9O8/c1-7-20(6)29-37(55)43-25(9-8-14-40)33(51)48-30(31(49)32(41)50)38(56)45-27(15-21-17-42-24-13-11-22(39)16-23(21)24)35(53)46-28(19(4)5)36(54)44-26(34(52)47-29)12-10-18(2)3/h11,13,16-20,25-31,42,49H,7-10,12,14-15,40H2,1-6H3,(H2,41,50)(H,43,55)(H,44,54)(H,45,56)(H,46,53)(H,47,52)(H,48,51)/t20-,25+,26-,27+,28-,29+,30-,31-/m1/s1
InChIKeyBEHXRGQIVXRKLZ-HKNNKDHJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies KCB13F003 (ncbitaxon:2052824) - PubMed (29083895)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ulleungmycin A (CHEBI:208653) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2R)-2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(3-methylbutyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide
Manual XrefsDatabases
78439880ChemSpider