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CHEBI:213980 - AP803

ChEBI IDCHEBI:213980
ChEBI NameAP803
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65N7O9S2
Net Charge0
Average Mass804.090
Monoisotopic Mass803.42852
SMILESCCC(C)C1C(=O)N[C@@H](CCS(C)=O)C(=O)NCCCC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N1C
InChIInChI=1S/C36H65N7O9S2/c1-10-23(6)29-33(47)39-26(15-18-54(9)52)30(44)37-16-12-11-13-24(41-36(51)42-28(35(49)50)20-22(4)5)31(45)38-25(14-17-53-8)32(46)40-27(19-21(2)3)34(48)43(29)7/h21-29H,10-20H2,1-9H3,(H,37,44)(H,38,45)(H,39,47)(H,40,46)(H,49,50)(H2,41,42,51)/t23?,24-,25+,26+,27+,28+,29?,54?/m1/s1
InChIKeyZMEKYFONCOOOPU-VLKLXNQJSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (32004884)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
AP803 (CHEBI:213980) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S)-2-[[(3S,9S,12S,15R)-6-butan-2-yl-7-methyl-9-(2-methylpropyl)-12-(2-methylsulanylethyl)-3-(2-methylsulinylethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid