EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212034 - Canucin A

ChEBI IDCHEBI:212034
ChEBI NameCanucin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H102N16O19
Net Charge0
Average Mass1579.778
Monoisotopic Mass1578.75072
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](C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C79H102N16O19/c1-8-45(6)64(76(109)91-56(37-51-39-80-42-83-51)70(103)89-55(35-49-26-17-11-18-27-49)73(106)94-65(78(111)112)66(99)79(113)114)93-72(105)54(34-48-24-15-10-16-25-48)88-69(102)53(33-47-22-13-9-14-23-47)87-71(104)57-38-60(96)81-40-62(98)92-63(44(4)5)75(108)82-41-61(97)85-58(36-50-28-19-12-20-29-50)77(110)95-31-21-30-59(95)74(107)90-52(32-43(2)3)68(101)84-46(7)67(100)86-57/h9-20,22-29,39,42-46,52-59,63-66,99H,8,21,30-38,40-41H2,1-7H3,(H,80,83)(H,81,96)(H,82,108)(H,84,101)(H,85,97)(H,86,100)(H,87,104)(H,88,102)(H,89,103)(H,90,107)(H,91,109)(H,92,98)(H,93,105)(H,94,106)(H,111,112)(H,113,114)/t45-,46+,52-,53-,54-,55-,56-,57+,58-,59-,63-,64-,65-,66-/m0/s1
InChIKeyLMLVQFIPOUUKJQ-XBVPPFJUSA-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 A (CHEBI:212034) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(3S,9S,16R,19R,22S,25S)-3-benzyl-5,8,11,14,18,21,24-heptahydroxy-19-methyl-22-(2-methylpropyl)-2-oxo-9-propan-2-yl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosa-4,7,10,13,17,20,23-heptaen-16-yl]-hydroxymethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxybutanedioic acid