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CHEBI:222238 - Prenylagaramide B

ChEBI IDCHEBI:222238
ChEBI NamePrenylagaramide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H68N8O10
Net Charge0
Average Mass929.129
Monoisotopic Mass928.50584
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C49H68N8O10/c1-7-30(6)42-47(64)54-38(27-41(50)59)49(66)56-21-8-10-39(56)45(62)52-36(25-32-14-18-34(19-15-32)67-23-20-28(2)3)44(61)51-35(24-29(4)5)43(60)53-37(26-31-12-16-33(58)17-13-31)48(65)57-22-9-11-40(57)46(63)55-42/h12-20,29-30,35-40,42,58H,7-11,21-27H2,1-6H3,(H2,50,59)(H,51,61)(H,52,62)(H,53,60)(H,54,64)(H,55,63)/t30-,35-,36-,37-,38-,39-,40-,42-/m0/s1
InChIKeyFLMLQOUFYRJGJD-XANOLGTJSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - PubMed (10346961)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Prenylagaramide B (CHEBI:222238) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(3S,6S,9S,15S,18S,21S,24S)-6-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-21-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-18-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
Manual XrefsDatabases
8805005ChemSpider