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CHEBI:198135 - Oscillarin

ChEBI IDCHEBI:198135
ChEBI NameOscillarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44N6O5
Net Charge0
Average Mass616.763
Monoisotopic Mass616.33732
SMILESN=C(N)N1CC=C(CCNC(=O)[C@@H]2CC3CCC(O)CC3N2C(=O)C(Cc2ccccc2)NC(=O)[C@H](O)Cc2ccccc2)C1
InChIInChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25?,26?,27?,28?,29-,30+/m0/s1
InChIKeyYNAKQOCSOOKXJP-IFNBDZAXSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - PubMed (15137772)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Oscillarin (CHEBI:198135) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-N-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-6-hydroxy-1-[2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Manual XrefsDatabases
10480056ChemSpider