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CHEBI:199613 - Aerucyclamide C

Default Structure
ChEBI IDCHEBI:199613
ChEBI NameAerucyclamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32N6O5S
Net Charge0
Average Mass516.624
Monoisotopic Mass516.21549
SMILESCC[C@H](C)[C@H]1NC(=O)c2coc(n2)[C@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
InChIKeyMQIAICAGVFTAAN-ZIYJYRAWSA-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 C (CHEBI:199613) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-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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24636795ChemSpider