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CHEBI:220416 - Aerucyclamide B

ChEBI IDCHEBI:220416
ChEBI NameAerucyclamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32N6O4S2
Net Charge0
Average Mass532.692
Monoisotopic Mass532.19265
SMILESCC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H]([C@@H](C)CC)NC(=O)c2csc(n2)CNC(=O)[C@H]2N=C1O[C@@H]2C
InChIInChI=1S/C24H32N6O4S2/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/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
InChIKeyJFWABYMXSVHLEW-ZUDVWZRRSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa PCC 7806 (ncbitaxon:267872) - PubMed (18558743)
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 B (CHEBI:220416) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(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-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
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23342274ChemSpider