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CHEBI:212041 - Canucin B

ChEBI IDCHEBI:212041
ChEBI NameCanucin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H102N16O18
Net Charge0
Average Mass1563.779
Monoisotopic Mass1562.75580
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N1)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C79H102N16O18/c1-8-46(6)67(77(110)91-57(37-52-40-80-43-83-52)72(105)87-55(34-49-24-15-10-16-25-49)71(104)92-60(79(112)113)39-65(99)100)94-74(107)56(35-50-26-17-11-18-27-50)89-70(103)54(33-48-22-13-9-14-23-48)88-73(106)58-38-62(96)81-41-64(98)93-66(45(4)5)76(109)82-42-63(97)85-59(36-51-28-19-12-20-29-51)78(111)95-31-21-30-61(95)75(108)90-53(32-44(2)3)69(102)84-47(7)68(101)86-58/h9-20,22-29,40,43-47,53-61,66-67H,8,21,30-39,41-42H2,1-7H3,(H,80,83)(H,81,96)(H,82,109)(H,84,102)(H,85,97)(H,86,101)(H,87,105)(H,88,106)(H,89,103)(H,90,108)(H,91,110)(H,92,104)(H,93,98)(H,94,107)(H,99,100)(H,112,113)/t46-,47+,53-,54-,55-,56-,57-,58+,59-,60-,61-,66-,67-/m0/s1
InChIKeyHFUVEKUMCOZNEW-GWGLQJHZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30617293)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Canucin B (CHEBI:212041) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(3S,9S,16R,19R,22S,25S)-3-benzyl-19-methyl-22-(2-methylpropyl)-2,5,8,11,14,18,21,24-octaoxo-9-propan-2-yl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosane-16-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid