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CHEBI:206208 - Cyanogenosin-RR

ChEBI IDCHEBI:206208
ChEBI NameCyanogenosin-RR
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H75N13O12
Net Charge0
Average Mass1038.218
Monoisotopic Mass1037.56581
SMILESC=C1C(=O)NC(C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(/C=C/C(C)=C/C(C)C(Cc2ccccc2)OC)[C@@H](C)C(=O)NC(C(=O)O)CCC(=O)N1C
InChIInChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27?,28-,29+,30?,33?,34+,35+,36?,37?,39-/m1/s1
InChIKeyJIGDOBKZMULDHS-UUYBORPESA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/0040-4039(88)80002-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyanogenosin-RR (CHEBI:206208) is a peptide (CHEBI:16670)
IUPAC Name 
(8S,11R,12S,15S,19R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Manual XrefsDatabases
78445239ChemSpider