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CHEBI:204415 - Anabaenopeptin 908

ChEBI IDCHEBI:204415
ChEBI NameAnabaenopeptin 908
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H68N10O10
Net Charge0
Average Mass909.099
Monoisotopic Mass908.51199
SMILESCC[C@H](C)C1NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCCNC1=O
InChIInChI=1S/C45H68N10O10/c1-6-27(4)37-40(60)48-24-8-7-10-32(51-45(65)52-34(43(63)64)11-9-25-49-44(46)47)38(58)53-36(26(2)3)41(61)50-33(22-16-28-12-18-30(56)19-13-28)42(62)55(5)35(39(59)54-37)23-17-29-14-20-31(57)21-15-29/h12-15,18-21,26-27,32-37,56-57H,6-11,16-17,22-25H2,1-5H3,(H,48,60)(H,50,61)(H,53,58)(H,54,59)(H,63,64)(H4,46,47,49)(H2,51,52,65)/t27-,32+,33-,34-,35?,36-,37?/m0/s1
InChIKeyFPSCSFRHCCJLDN-GQGBGXOCSA-N
Species of MetaboliteComponentSourceComments
Planktothrix (ncbitaxon:54304) - PubMed (19115837)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anabaenopeptin 908 (CHEBI:204415) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(9S,12S,15R)-3-[(2S)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
78439682ChemSpider