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CHEBI:209946 - Kakeromamide B

ChEBI IDCHEBI:209946
ChEBI NameKakeromamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N6O7S
Net Charge0
Average Mass791.028
Monoisotopic Mass790.40877
SMILESCCCCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C
InChIInChI=1S/C42H58N6O7S/c1-10-11-12-13-32-26(4)37(49)46-36(25(2)3)42(53)48(7)35(23-29-16-20-31(55-9)21-17-29)41(52)47(6)34(22-28-14-18-30(54-8)19-15-28)39(51)43-27(5)40-45-33(24-56-40)38(50)44-32/h14-21,24-27,32,34-36H,10-13,22-23H2,1-9H3,(H,43,51)(H,44,50)(H,46,49)/t26-,27-,32+,34-,35-,36-/m0/s1
InChIKeyZOYLNELAQXQVCJ-LTJUQBBISA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (32197482)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kakeromamide B (CHEBI:209946) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,5S,8S,11S,14S,15R)-5,8-bis[(4-methoxyphenyl)methyl]-2,6,9,14-tetramethyl-15-pentyl-11-propan-2-yl-20-thia-3,6,9,12,16,21-hexazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Manual XrefsDatabases
81424704ChemSpider