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CHEBI:209069 - Pentaminomycin A

ChEBI IDCHEBI:209069
ChEBI NamePentaminomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H51N9O6
Net Charge0
Average Mass669.828
Monoisotopic Mass669.39623
SMILESCC(C)C[C@H]1NC(=O)[C@H](CCCN(O)C(=N)N)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C33H51N9O6/c1-17(2)14-24-30(45)40-27(19(5)6)32(47)41-26(18(3)4)31(46)39-25(15-20-16-36-22-11-8-7-10-21(20)22)29(44)37-23(28(43)38-24)12-9-13-42(48)33(34)35/h7-8,10-11,16-19,23-27,36,48H,9,12-15H2,1-6H3,(H3,34,35)(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,41,47)/t23-,24+,25-,26+,27-/m0/s1
InChIKeyUMAAYOBTEPKWOX-HYFAGJRRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29513529)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pentaminomycin A (CHEBI:209069) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
1-hydroxy-1-[3-[(2S,5R,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8,11-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Manual XrefsDatabases
78439881ChemSpider