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CHEBI:221808 - Anacyclamide C8

ChEBI IDCHEBI:221808
ChEBI NameAnacyclamide C8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H71N11O10
Net Charge0
Average Mass998.196
Monoisotopic Mass997.53854
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cncn2)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C51H71N11O10/c1-7-30(6)43-50(71)55-35(19-20-41(52)64)44(65)58-38(25-33-26-53-27-54-33)47(68)57-37(23-32-15-17-34(63)18-16-32)46(67)56-36(22-28(2)3)45(66)59-39(24-31-12-9-8-10-13-31)51(72)62-21-11-14-40(62)48(69)60-42(29(4)5)49(70)61-43/h8-10,12-13,15-18,26-30,35-40,42-43,63H,7,11,14,19-25H2,1-6H3,(H2,52,64)(H,53,54)(H,55,71)(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,61,70)/t30-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1
InChIKeyFQIGKVHTFVHDQG-NXJJEAEESA-N
Species of MetaboliteComponentSourceComments
Anabaenaspecies 90 (ncbitaxon:46234) - PubMed (20008171)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anacyclamide C8 (CHEBI:221808) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6S,9S,12S,15S,18S,21S,24S)-3-benzyl-18-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-12-(1H-imidazol-5-ylmethyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-21-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-15-yl]propanamide
Manual XrefsDatabases
64849020ChemSpider