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CHEBI:222641 - Almiramide A

ChEBI IDCHEBI:222641
ChEBI NameAlmiramide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66N6O7
Net Charge0
Average Mass743.003
Monoisotopic Mass742.49930
SMILESCC(=O)CCCC[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/C40H66N6O7/c1-24(2)32(39(52)43(10)29(9)38(51)44(11)31(35(41)48)23-30-21-15-14-16-22-30)42-36(49)33(25(3)4)45(12)40(53)34(26(5)6)46(13)37(50)27(7)19-17-18-20-28(8)47/h14-16,21-22,24-27,29,31-34H,17-20,23H2,1-13H3,(H2,41,48)(H,42,49)/t27-,29+,31+,32+,33+,34+/m1/s1
InChIKeyWPASHCDGVMUZKC-GRPUOVBYSA-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 A (CHEBI:222641) 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-dimethyl-7-oxooctanamide
Manual XrefsDatabases
24671778ChemSpider