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CHEBI:218990 - Rimosamide A

ChEBI IDCHEBI:218990
ChEBI NameRimosamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44N4O9
Net Charge0
Average Mass604.701
Monoisotopic Mass604.31083
SMILESCCC(C)[C@H](N)C(=O)N1CC[C@@H](OC(C)=O)[C@H]1[C@H](CC(=O)O)OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C30H44N4O9/c1-6-18(4)26(31)29(40)34-13-12-22(42-19(5)35)27(34)23(15-25(37)38)43-30(41)21(14-20-10-8-7-9-11-20)33-24(36)16-32-28(39)17(2)3/h7-11,17-18,21-23,26-27H,6,12-16,31H2,1-5H3,(H,32,39)(H,33,36)(H,37,38)/t18?,21-,22+,23-,26-,27-/m0/s1
InChIKeyOOZXZLMNWFHGNB-NZEUKUFQSA-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 A (CHEBI:218990) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(3S)-3-[(2S,3R)-3-acetyloxy-1-[(2S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]-3-[(2S)-2-[[2-(2-methylpropanoylamino)acetyl]amino]-3-phenylpropanoyl]oxypropanoic acid