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CHEBI:221613 - Bananamide 1

ChEBI IDCHEBI:221613
ChEBI NameBananamide 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H97N9O14
Net Charge0
Average Mass1108.430
Monoisotopic Mass1107.71550
SMILESCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C
InChIInChI=1S/C55H97N9O14/c1-13-14-15-16-17-18-19-20-36(65)28-45(67)57-38(23-30(2)3)49(71)61-42(29-46(68)69)53(75)64-47-35(12)78-55(77)43(27-34(10)11)63-52(74)40(25-32(6)7)59-48(70)37(21-22-44(56)66)58-50(72)39(24-31(4)5)60-51(73)41(26-33(8)9)62-54(47)76/h30-43,47,65H,13-29H2,1-12H3,(H2,56,66)(H,57,67)(H,58,72)(H,59,70)(H,60,73)(H,61,71)(H,62,76)(H,63,74)(H,64,75)(H,68,69)
InChIKeyGYCIEQDBVMJGTO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (27798598)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bananamide 1 (CHEBI:221613) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[[9-(3-amino-3-oxopropyl)-19-methyl-3,6,12,15-tetrakis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-[[2-(3-hydroxydodecanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoic acid