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CHEBI:214584 - Benderamide A

ChEBI IDCHEBI:214584
ChEBI NameBenderamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H57N5O7
Net Charge0
Average Mass755.957
Monoisotopic Mass755.42580
SMILESC#CCCC[C@@H]1OC(=O)C(C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C43H57N5O7/c1-9-10-13-24-35-43(5,6)42(54)45-36(28(2)3)40(52)47(8)34(27-31-21-16-12-17-22-31)39(51)48-25-18-23-32(48)38(50)46(7)33(26-30-19-14-11-15-20-30)37(49)44-29(4)41(53)55-35/h1,11-12,14-17,19-22,28-29,32-36H,10,13,18,23-27H2,2-8H3,(H,44,49)(H,45,54)/t29?,32-,33-,34-,35-,36-/m0/s1
InChIKeyUQBZXGHVULROAE-FSLOYXAOSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (30373109)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Benderamide A (CHEBI:214584) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,10S,16S,19S)-3,16-dibenzyl-4,9,9,13,17-pentamethyl-10-pent-4-ynyl-6-propan-2-yl-11-oxa-1,4,7,14,17-pentazabicyclo[17.3.0]docosane-2,5,8,12,15,18-hexone