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CHEBI:202353 - Agardhipeptin A

ChEBI IDCHEBI:202353
ChEBI NameAgardhipeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H51N11O7
Net Charge0
Average Mass833.951
Monoisotopic Mass833.39729
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2cncn2)NC1=O
InChIInChI=1S/C43H51N11O7/c1-24(2)14-32-41(59)52-34(17-27-20-44-23-49-27)40(58)48-22-38(56)51-35(16-26-19-46-31-11-6-4-9-29(26)31)43(61)54-13-7-12-36(54)42(60)53-33(39(57)47-21-37(55)50-32)15-25-18-45-30-10-5-3-8-28(25)30/h3-6,8-11,18-20,23-24,32-36,45-46H,7,12-17,21-22H2,1-2H3,(H,44,49)(H,47,57)(H,48,58)(H,50,55)(H,51,56)(H,52,59)(H,53,60)/t32-,33-,34-,35-,36-/m0/s1
InChIKeyRGZSNQSMWRPTNL-XYPUQJIVSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/0040-4020(96)00775-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Agardhipeptin A (CHEBI:202353) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,12S,18S,21S)-9-(1H-imidazol-5-ylmethyl)-3,18-bis(1H-indol-3-ylmethyl)-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
10232675ChemSpider