EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221787 - Anacyclamide B7

ChEBI IDCHEBI:221787
ChEBI NameAnacyclamide B7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H59N9O7S
Net Charge0
Average Mass761.991
Monoisotopic Mass761.42582
SMILESCC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cncn2)NC(=O)[C@H](CCSC)NC1=O
InChIInChI=1S/C36H59N9O7S/c1-8-21(5)29-34(50)38-18-28(46)43-30(22(6)9-2)35(51)40-24(12-14-53-7)31(47)42-26(16-23-17-37-19-39-23)36(52)45-13-10-11-27(45)33(49)41-25(15-20(3)4)32(48)44-29/h17,19-22,24-27,29-30H,8-16,18H2,1-7H3,(H,37,39)(H,38,50)(H,40,51)(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t21-,22-,24-,25-,26-,27-,29-,30-/m0/s1
InChIKeyXCHQWQBZWWDLDN-PTYPHENBSA-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 B7 (CHEBI:221787) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,9S,15S,18S,21S)-9,15-bis[(2S)-butan-2-yl]-3-(1H-imidazol-5-ylmethyl)-18-(2-methylpropyl)-6-(2-methylsulanylethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
64849017ChemSpider