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CHEBI:207233 - Almiramide C

ChEBI IDCHEBI:207233
ChEBI NameAlmiramide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66N6O6
Net Charge0
Average Mass727.004
Monoisotopic Mass726.50438
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)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C40H66N6O6/c1-14-15-16-18-21-28(8)37(49)46(13)34(27(6)7)40(52)45(12)33(26(4)5)36(48)42-32(25(2)3)39(51)43(10)29(9)38(50)44(11)31(35(41)47)24-30-22-19-17-20-23-30/h14,17,19-20,22-23,25-29,31-34H,1,15-16,18,21,24H2,2-13H3,(H2,41,47)(H,42,48)/t28-,29+,31+,32+,33+,34+/m1/s1
InChIKeyQYTBDYVUMOVEHG-CWXFOQKSSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (20441198)
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 C (CHEBI:207233) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-7-enamide
Manual XrefsDatabases
24671379ChemSpider