CHEBI:214584 - Benderamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Benderamide A
ChEBI ID CHEBI:214584
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H57N5O7
Net Charge 0
Average Mass 755.957
Monoisotopic Mass 755.42580
InChI InChI=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
InChIKey UQBZXGHVULROAE-FSLOYXAOSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(NC(C(O[C@H](C1(C)C)CCCC#C)=O)C)=O)CC3=CC=CC=C3)C)CCC2)CC4=CC=CC=C4)C)C(C)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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