EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206367 - Bananamide G

ChEBI IDCHEBI:206367
ChEBI NameBananamide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H90N8O14
Net Charge0
Average Mass1051.334
Monoisotopic Mass1050.65765
SMILESCCCCCCC/C=C\C(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(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)OC1C
InChIInChI=1S/C52H90N8O14/c1-13-14-15-16-17-18-19-20-34(62)25-41(63)53-35(21-28(2)3)45(66)56-39(26-42(64)65)49(70)60-44-33(12)74-52(73)43(32(10)11)59-48(69)38(24-31(8)9)55-50(71)40(27-61)58-47(68)36(22-29(4)5)54-46(67)37(23-30(6)7)57-51(44)72/h19-20,28-40,43-44,61-62H,13-18,21-27H2,1-12H3,(H,53,63)(H,54,67)(H,55,71)(H,56,66)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,64,65)/b20-19-
InChIKeyOQVKCEVXGNJSOO-VXPUYCOJSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas botevensis (ncbitaxon:2842352) - PubMed (31744250)
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 G (CHEBI:206367) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[[2-[[(Z)-3-hydroxydodec-4-enoyl]amino]-4-methylpentanoyl]amino]-4-[[9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-4-oxobutanoic acid