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CHEBI:213888 - Almiramide H

ChEBI IDCHEBI:213888
ChEBI NameAlmiramide H
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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)[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)NCC(N)=O)[C@H](C)CC)[C@H](C)CC)C(C)C)C(C)C
InChIInChI=1S/C36H64N6O6/c1-14-17-18-19-20-26(10)34(46)41(12)30(23(6)7)36(48)40(11)29(22(4)5)33(45)39-28(24(8)15-2)35(47)42(13)31(25(9)16-3)32(44)38-21-27(37)43/h1,22-26,28-31H,15-21H2,2-13H3,(H2,37,43)(H,38,44)(H,39,45)/t24-,25-,26-,28+,29+,30+,31+/m1/s1
InChIKeyWJHGYDMMCIISCQ-PKJISTBPSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria nigro-viridis (ncbitaxon:482564) - PubMed (25468043)
ChEBI Ontology
Outgoing Relation(s)
Almiramide H (CHEBI:213888) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2R)-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3R)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-7-ynamide