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CHEBI:207055 - Brevibacillin V

ChEBI IDCHEBI:207055
ChEBI NameBrevibacillin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H140N16O16
Net Charge0
Average Mass1570.085
Monoisotopic Mass1569.06332
SMILESC/C=C(/NC(=O)C(O)C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCCN)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CO)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)CC
InChIInChI=1S/C79H140N16O16/c1-20-49(18)65(95-70(102)56(30-27-37-82)84-71(103)57(38-42(4)5)87-67(99)53(22-3)83-79(111)66(98)50(19)21-2)78(110)94-64(48(16)17)77(109)93-62(46(12)13)75(107)86-55(29-24-26-36-81)69(101)91-63(47(14)15)76(108)92-61(45(10)11)74(106)85-54(28-23-25-35-80)68(100)89-59(40-51-31-33-52(97)34-32-51)73(105)88-58(39-43(6)7)72(104)90-60(41-96)44(8)9/h22,31-34,42-50,54-66,96-98H,20-21,23-30,35-41,80-82H2,1-19H3,(H,83,111)(H,84,103)(H,85,106)(H,86,107)(H,87,99)(H,88,105)(H,89,100)(H,90,104)(H,91,101)(H,92,108)(H,93,109)(H,94,110)(H,95,102)/b53-22+
InChIKeyWDUFQGPNEYUNMM-ZSPMQPQXSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus (ncbitaxon:55080) - PubMed (31674183)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brevibacillin V (CHEBI:207055) is a peptide (CHEBI:16670)
IUPAC Name 
6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[[(E)-2-[(2-hydroxy-3-methylpentanoyl)amino]but-2-enoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[1-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide