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CHEBI:209075 - Pentaminomycin B

Default Structure
ChEBI IDCHEBI:209075
ChEBI NamePentaminomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H53N9O6
Net Charge0
Average Mass683.855
Monoisotopic Mass683.41188
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN(O)C(=N)N)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C34H53N9O6/c1-18(2)14-25-30(45)40-26(15-19(3)4)32(47)42-28(20(5)6)33(48)41-27(16-21-17-37-23-11-8-7-10-22(21)23)31(46)38-24(29(44)39-25)12-9-13-43(49)34(35)36/h7-8,10-11,17-20,24-28,37,49H,9,12-16H2,1-6H3,(H3,35,36)(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47)/t24-,25+,26-,27-,28+/m0/s1
InChIKeyPSSGFWIIEZXSSX-IEAFHPEVSA-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 B (CHEBI:209075) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
1-hydroxy-1-[3-[(2S,5R,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5,8-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Manual XrefsDatabases
78439882ChemSpider