CHEBI:206372 - Bananamide E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Bananamide E
ChEBI ID CHEBI:206372
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H94N8O14
Net Charge 0
Average Mass 1067.377
Monoisotopic Mass 1066.68895
InChI InChI=1S/C53H94N8O14/c1-13-15-16-17-18-19-20-21-35(63)26-42(64)54-36(22-29(3)4)46(67)57-40(27-43(65)66)50(71)61-45-34(12)75-53(74)44(33(11)14-2)60-49(70)39(25-32(9)10)56-51(72)41(28-62)59-48(69)37(23-30(5)6)55-47(68)38(24-31(7)8)58-52(45)73/h29-41,44-45,62-63H,13-28H2,1-12H3,(H,54,64)(H,55,68)(H,56,72)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,65,66)
InChIKey HQUPTJOAWSKGJC-UHFFFAOYSA-N
SMILES O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCC)CC(C)C)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CO)=O)CC(C)C)C
Metabolite of Species Details
Pseudomonas botevensis (NCBI:txid2842352) 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 Bananamide E (CHEBI:206372) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
4-[[3-butan-2-yl-9-(hydroxymethyl)-19-methyl-6,12,15-tris(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