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CHEBI:213878 - Almiramide E

ChEBI IDCHEBI:213878
ChEBI NameAlmiramide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H64N6O6
Net Charge0
Average Mass676.944
Monoisotopic Mass676.48873
SMILESC#CCCCC[C@@H](C)C(=O)N(C)[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](C)C(N)=O)[C@H](C)CC)[C@H](C)CC)C(C)C)C(C)C
InChIInChI=1S/C36H64N6O6/c1-14-17-18-19-20-25(10)35(47)41(12)29(22(6)7)33(45)39-27(21(4)5)32(44)40-28(23(8)15-2)36(48)42(13)30(24(9)16-3)34(46)38-26(11)31(37)43/h1,21-30H,15-20H2,2-13H3,(H2,37,43)(H,38,46)(H,39,45)(H,40,44)/t23-,24-,25-,26+,27-,28+,29+,30+/m1/s1
InChIKeyKQSQXKSUNVGZND-VEPIHAAWSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria nigro-viridis (ncbitaxon:482564) - PubMed (25468043)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Almiramide E (CHEBI:213878) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-7-ynamide