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CHEBI:214590 - Kakeromamide A

ChEBI IDCHEBI:214590
ChEBI NameKakeromamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N6O7S
Net Charge0
Average Mass791.028
Monoisotopic Mass790.40877
SMILESCCC[C@H]1NC(=O)c2csc(n2)[C@H](C(C)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/c1-11-12-31-26(6)37(49)46-36(25(4)5)42(53)48(8)34(22-28-15-19-30(55-10)20-16-28)41(52)47(7)33(21-27-13-17-29(54-9)18-14-27)39(51)45-35(24(2)3)40-44-32(23-56-40)38(50)43-31/h13-20,23-26,31,33-36H,11-12,21-22H2,1-10H3,(H,43,50)(H,45,51)(H,46,49)/t26-,31-,33+,34+,35+,36+/m1/s1
InChIKeyKLPNJQKYFZVGOK-CDFZFYIQSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (29773503)
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 A (CHEBI:214590) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,5S,8S,11S,14R,15R)-5,8-bis[(4-methoxyphenyl)methyl]-6,9,14-trimethyl-2,11-di(propan-2-yl)-15-propyl-20-thia-3,6,9,12,16,21-hexazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone