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CHEBI:213310 - Anabaenolysin D

ChEBI IDCHEBI:213310
ChEBI NameAnabaenolysin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47N5O9
Net Charge0
Average Mass633.743
Monoisotopic Mass633.33738
SMILESCCCCCCCC/C=C/C=C/C=C/CC1NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C2OC(=O)CC2NC(=O)C1O
InChIInChI=1S/C31H47N5O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(40)30(43)36-22-18-25(39)45-28(22)27(41)31(44)35-21(16-17-23(32)37)29(42)33-19-24(38)34-20/h9-14,20-22,26-28,40-41H,2-8,15-19H2,1H3,(H2,32,37)(H,33,42)(H,34,38)(H,35,44)(H,36,43)/b10-9+,12-11+,14-13+/t20?,21-,22?,26?,27?,28?/m0/s1
InChIKeyBIUCFVAFOCEXJD-IYYVNUIDSA-N
Species of MetaboliteComponentSourceComments
Anabaenaspecies XSPORK2A (ncbitaxon:1771346) - PubMed (26474830)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anabaenolysin D (CHEBI:213310) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(11S)-4,14-dihydroxy-3,7,10,13,17-pentaoxo-5-[(2E,4E,6E)-pentadeca-2,4,6-trienyl]-16-oxa-2,6,9,12-tetrazabicyclo[13.3.0]octadecan-11-yl]propanamide