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CHEBI:202045 - Aerucyclamide D

ChEBI IDCHEBI:202045
ChEBI NameAerucyclamide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N6O4S3
Net Charge0
Average Mass586.765
Monoisotopic Mass586.14907
SMILESCSCC[C@@H]1NC(=O)c2csc(n2)CNC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSC1=N2
InChIInChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
InChIKeyMLBROOJXUZKDHY-PKPICYNOSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa PCC 7806 (ncbitaxon:267872) - PubMed (18973386)
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 D (CHEBI:202045) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulanylethyl)-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
24641545ChemSpider