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CHEBI:211935 - Prenylagaramide C

ChEBI IDCHEBI:211935
ChEBI NamePrenylagaramide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H80N10O11
Net Charge0
Average Mass1021.271
Monoisotopic Mass1020.60080
SMILESCC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C52H80N10O11/c1-10-32(8)44-52(72)62-23-12-14-41(62)50(70)59-39(26-31(6)7)51(71)61-22-11-13-40(61)49(69)56-36(19-20-42(53)63)47(67)55-33(9)45(65)57-38(27-34-15-17-35(18-16-34)73-24-21-29(2)3)48(68)58-37(25-30(4)5)46(66)54-28-43(64)60-44/h15-18,21,30-33,36-41,44H,10-14,19-20,22-28H2,1-9H3,(H2,53,63)(H,54,66)(H,55,67)(H,56,69)(H,57,65)(H,58,68)(H,59,70)(H,60,64)/t32-,33-,36-,37-,38-,39-,40-,41-,44-/m0/s1
InChIKeySIPYAYHFDUJHRA-FBUBZPHJSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - PubMed (21513887)
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 C (CHEBI:211935) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6S,12S,18S,21S,24S,27S,30S)-12-[(2S)-butan-2-yl]-24-methyl-21-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,18-bis(2-methylpropyl)-2,5,11,14,17,20,23,26,29-nonaoxo-1,4,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.06,10]tritriacontan-27-yl]propanamide