CHEBI:221607 - Bananamide 2

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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 Bananamide 2
ChEBI ID CHEBI:221607
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C55H95N9O14
Net Charge 0
Average Mass 1106.414
Monoisotopic Mass 1105.69985
InChI InChI=1S/C55H95N9O14/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/h18-19,30-43,47,65H,13-17,20-29H2,1-12H3,(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)/b19-18+
InChIKey GBQVGCQSRLBIPS-VHEBQXMUSA-N
SMILES O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)C/C=C/CCCCCC)CC(C)C)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC1CC(C)C)=O)CC(C)C)=O)CCC(=O)N)=O)CC(C)C)C
Metabolite of Species Details
Pseudomonas (NCBI:txid286) 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 2 (CHEBI:221607) 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-[[(E)-3-hydroxydodec-5-enoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid