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CHEBI:213872 - Almiramide D

ChEBI IDCHEBI:213872
ChEBI NameAlmiramide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66N6O6
Net Charge0
Average Mass690.971
Monoisotopic Mass690.50438
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)N[C@@H](C)C(N)=O)[C@H](C)CC)[C@H](C)CC)C(C)C)C(C)C
InChIInChI=1S/C37H66N6O6/c1-15-18-19-20-21-26(10)35(47)42(13)30(23(6)7)37(49)41(12)29(22(4)5)33(45)40-28(24(8)16-2)36(48)43(14)31(25(9)17-3)34(46)39-27(11)32(38)44/h1,22-31H,16-21H2,2-14H3,(H2,38,44)(H,39,46)(H,40,45)/t24-,25-,26-,27+,28+,29+,30+,31+/m1/s1
InChIKeyNMCPLXDFOONXSK-DCJDAKHGSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria nigro-viridis (ncbitaxon:482564) - PubMed (25468043)
ChEBI Ontology
Outgoing Relation(s)
Almiramide D (CHEBI:213872) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2R)-N-[(2S)-1-[[(2S)-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]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-7-ynamide