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CHEBI:205399 - Banyasin A

ChEBI IDCHEBI:205399
ChEBI NameBanyasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H51N9O8
Net Charge0
Average Mass713.837
Monoisotopic Mass713.38606
SMILESCC/C=C/CC1NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)C(Cc2ccccc2)N(C)C(=O)[C@H](CCCN=C(N)NC(=O)NC)NC(=O)C1C
InChIInChI=1S/C34H51N9O8/c1-6-7-9-15-23-20(2)28(46)40-24(16-12-17-37-33(35)42-34(51)36-4)32(50)43(5)26(18-22-13-10-8-11-14-22)31(49)41-25(19-27(44)45)30(48)38-21(3)29(47)39-23/h7-11,13-14,20-21,23-26H,6,12,15-19H2,1-5H3,(H,38,48)(H,39,47)(H,40,46)(H,41,49)(H,44,45)(H4,35,36,37,42,51)/b9-7+/t20?,21-,23?,24-,25-,26?/m0/s1
InChIKeyOPFHYLNKVKPGNV-HUUBDTTPSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - DOI (10.1016/j.tet.2004.11.016)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Banyasin A (CHEBI:205399) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(3S,6S,12S)-12-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-9-benzyl-3,10,15-trimethyl-2,5,8,11,14-pentaoxo-16-[(E)-pent-2-enyl]-1,4,7,10,13-pentazacyclohexadec-6-yl]acetic acid
Manual XrefsDatabases
78445147ChemSpider