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CHEBI:218995 - Rimosamide B

ChEBI IDCHEBI:218995
ChEBI NameRimosamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N4O9
Net Charge0
Average Mass590.674
Monoisotopic Mass590.29518
SMILESCC(=O)O[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1[C@H](CC(=O)O)OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C29H42N4O9/c1-16(2)25(30)28(39)33-12-11-21(41-18(5)34)26(33)22(14-24(36)37)42-29(40)20(13-19-9-7-6-8-10-19)32-23(35)15-31-27(38)17(3)4/h6-10,16-17,20-22,25-26H,11-15,30H2,1-5H3,(H,31,38)(H,32,35)(H,36,37)/t20-,21+,22-,25-,26-/m0/s1
InChIKeyGZJPRSNUTSZKES-QQCYLNIMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27809474)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rimosamide B (CHEBI:218995) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(3S)-3-[(2S,3R)-3-acetyloxy-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-3-[(2S)-2-[[2-(2-methylpropanoylamino)acetyl]amino]-3-phenylpropanoyl]oxypropanoic acid