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CHEBI:212796 - Cusperin B

ChEBI IDCHEBI:212796
ChEBI NameCusperin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40N4O8
Net Charge0
Average Mass524.615
Monoisotopic Mass524.28461
SMILESC=C1C[C@](O)([C@H](O)C(=O)N/C=C/C(C)[C@@H](O)C(C)C(=O)N2CCC[C@H]2C(=O)NCC(N)=O)O[C@H](C)[C@@H]1C
InChIInChI=1S/C25H40N4O8/c1-13(8-9-27-23(34)21(32)25(36)11-14(2)15(3)17(5)37-25)20(31)16(4)24(35)29-10-6-7-18(29)22(33)28-12-19(26)30/h8-9,13,15-18,20-21,31-32,36H,2,6-7,10-12H2,1,3-5H3,(H2,26,30)(H,27,34)(H,28,33)/b9-8+/t13?,15-,16?,17-,18+,20-,21-,25-/m1/s1
InChIKeyFRVCGSZIVNIXOO-GYXPDKRDSA-N
Species of MetaboliteComponentSourceComments
Cuspidothrix issatschenkoi (ncbitaxon:230752) - PubMed (29570981)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cusperin B (CHEBI:212796) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-(2-amino-2-oxoethyl)-1-[(E,3R)-3-hydroxy-6-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-2,4-dimethylhex-5-enoyl]pyrrolidine-2-carboxamide