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CHEBI:213774 - Nodulapeptin 807

ChEBI IDCHEBI:213774
ChEBI NameNodulapeptin 807
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H61N7O9
Net Charge0
Average Mass807.990
Monoisotopic Mass807.45308
SMILESCCC(C)C(NC(=O)NC1CCCCNC(=O)C(CO)NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)C)NC1=O)C(=O)O
InChIInChI=1S/C42H61N7O9/c1-6-27(4)35(41(56)57)48-42(58)46-30-19-13-14-24-43-36(51)32(25-50)45-38(53)33(23-21-29-17-11-8-12-18-29)49(5)40(55)31(22-20-28-15-9-7-10-16-28)44-39(54)34(26(2)3)47-37(30)52/h7-12,15-18,26-27,30-35,50H,6,13-14,19-25H2,1-5H3,(H,43,51)(H,44,54)(H,45,53)(H,47,52)(H,56,57)(H2,46,48,58)
InChIKeyRPTCZWVFLDVHRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (27834904)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nodulapeptin 807 (CHEBI:213774) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[3-(hydroxymethyl)-7-methyl-2,5,8,11,14-pentaoxo-6,9-bis(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid