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CHEBI:202533 - Apramide B

ChEBI IDCHEBI:202533
ChEBI NameApramide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H78N8O8S
Net Charge0
Average Mass963.300
Monoisotopic Mass962.56633
SMILESC#CCCCCCC(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C51H78N8O8S/c1-16-17-18-19-20-23-42(60)54(10)36(8)46(61)56(12)45(35(6)7)51(66)59-29-21-22-39(59)48(63)57(13)44(34(4)5)50(65)58(14)43(33(2)3)49(64)55(11)40(31-37-24-26-38(67-15)27-25-37)47(62)53(9)32-41-52-28-30-68-41/h1,24-28,30,33-36,39-40,43-45H,17-23,29,31-32H2,2-15H3/t36-,39-,40-,43-,44-,45-/m0/s1
InChIKeyBCUVOJDQGDCCLP-ASAKNYMISA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (10978206)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Apramide B (CHEBI:202533) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl(oct-7-ynoyl)amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
8899932ChemSpider