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CHEBI:221602 - Bananamide 3

ChEBI IDCHEBI:221602
ChEBI NameBananamide 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H93N9O14
Net Charge0
Average Mass1080.376
Monoisotopic Mass1079.68420
SMILESCCCCCCCC(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/C53H93N9O14/c1-13-14-15-16-17-18-34(63)26-43(65)55-36(21-28(2)3)47(69)59-40(27-44(66)67)51(73)62-45-33(12)76-53(75)41(25-32(10)11)61-50(72)38(23-30(6)7)57-46(68)35(19-20-42(54)64)56-48(70)37(22-29(4)5)58-49(71)39(24-31(8)9)60-52(45)74/h28-41,45,63H,13-27H2,1-12H3,(H2,54,64)(H,55,65)(H,56,70)(H,57,68)(H,58,71)(H,59,69)(H,60,74)(H,61,72)(H,62,73)(H,66,67)
InChIKeyMITVMDRXQKMCQE-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 3 (CHEBI:221602) 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-hydroxydecanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoic acid