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CHEBI:212519 - Maedamide

ChEBI IDCHEBI:212519
ChEBI NameMaedamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74N6O12
Net Charge0
Average Mass963.183
Monoisotopic Mass962.53647
SMILESCC[C@@H](C)[C@@H](NC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)[C@H](OC(=O)[C@@H](O)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C51H74N6O12/c1-9-32(5)43(47(63)52-30-42(60)55(7)39(28-35-21-15-12-16-22-35)48(64)57-26-18-24-38(57)50(66)68-8)54-41(59)29-40(58)36(27-34-19-13-11-14-20-34)53-46(62)37-23-17-25-56(37)49(65)45(33(6)10-2)69-51(67)44(61)31(3)4/h11-16,19-22,31-33,36-40,43-45,58,61H,9-10,17-18,23-30H2,1-8H3,(H,52,63)(H,53,62)(H,54,59)/t32-,33+,36-,37?,38?,39+,40+,43-,44+,45-/m1/s1
InChIKeyYOPVXOUHYSYHKL-JBYGUWGWSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1016/j.tetlet.2014.05.099)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Maedamide (CHEBI:212519) is a depsipeptide (CHEBI:23643)
IUPAC Name 
methyl 1-[(2S)-2-[[2-[[(2R,3R)-2-[[(3S,4R)-3-hydroxy-4-[[1-[(2R,3S)-2-[(2S)-2-hydroxy-3-methylbutanoyl]oxy-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate