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CHEBI:213973 - AP731

ChEBI IDCHEBI:213973
ChEBI NameAP731
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53N7O10
Net Charge0
Average Mass731.848
Monoisotopic Mass731.38539
SMILESCC(=O)OC[C@@H]1NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)N[C@H](Cc2ccccc2)C(=O)O)CCCCNC1=O
InChIInChI=1S/C35H53N7O10/c1-20(2)16-25-33(48)42(6)18-28(44)37-27(19-52-22(5)43)30(45)36-15-11-10-14-24(31(46)41-29(21(3)4)32(47)38-25)39-35(51)40-26(34(49)50)17-23-12-8-7-9-13-23/h7-9,12-13,20-21,24-27,29H,10-11,14-19H2,1-6H3,(H,36,45)(H,37,44)(H,38,47)(H,41,46)(H,49,50)(H2,39,40,51)/t24-,25+,26-,27+,29+/m1/s1
InChIKeyWRZIZKCPILZQPW-MNSURXOTSA-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)
AP731 (CHEBI:213973) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2R)-2-[[(3S,9S,12S,15R)-3-(acetyloxymethyl)-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid