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CHEBI:184019 - Aerucyclamide a

ChEBI IDCHEBI:184019
ChEBI NameAerucyclamide a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34N6O4S2
Net Charge0
Average Mass534.708
Monoisotopic Mass534.20830
SMILES[H][C@]12CSC(=N1)[C@@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)CNC(=O)[C@@]1([H])N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC2=O
InChIInChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
InChIKeyVJFRQMMMXJJUSM-VZGZUROSSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aerucyclamide a (CHEBI:184019) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
Manual XrefsDatabases
23342203ChemSpider