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CHEBI:221767 - Anacyclamide A8P

ChEBI IDCHEBI:221767
ChEBI NameAnacyclamide A8P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H64N14O9
Net Charge0
Average Mass993.140
Monoisotopic Mass992.49807
SMILESCC(C)=CCn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3cncn3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc3cncn3)NC2=O)c2ccccc21
InChIInChI=1S/C49H64N14O9/c1-27(2)15-18-61-24-30(33-9-5-6-10-38(33)61)19-35-44(67)58-36(20-31-22-51-25-53-31)43(66)55-28(3)42(65)56-29(4)48(71)62-16-7-11-39(62)46(69)60-37(21-32-23-52-26-54-32)45(68)57-34(13-14-41(50)64)49(72)63-17-8-12-40(63)47(70)59-35/h5-6,9-10,15,22-26,28-29,34-37,39-40H,7-8,11-14,16-21H2,1-4H3,(H2,50,64)(H,51,53)(H,52,54)(H,55,66)(H,56,65)(H,57,68)(H,58,67)(H,59,70)(H,60,69)/t28-,29-,34-,35-,36-,37-,39-,40-/m0/s1
InChIKeyOJHRPVYUQLSYHW-OQIFCOLESA-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 A8P (CHEBI:221767) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6S,9S,15S,18S,21S,24S,27S)-6,21-bis(1H-imidazol-5-ylmethyl)-15,18-dimethyl-24-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-2,5,8,14,17,20,23,26-octaoxo-1,4,7,13,16,19,22,25-octazatricyclo[25.3.0.09,13]triacontan-3-yl]propanamide