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CHEBI:214653 - Microginin AL584

ChEBI IDCHEBI:214653
ChEBI NameMicroginin AL584
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H45ClN4O7
Net Charge0
Average Mass585.142
Monoisotopic Mass584.29768
SMILESCC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)N(C)C(=O)[C@H](C)NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCl
InChIInChI=1S/C28H45ClN4O7/c1-17(2)23(25(36)32-22(28(39)40)16-19-11-13-20(34)14-12-19)33(4)27(38)18(3)31-26(37)24(35)21(30)10-8-6-5-7-9-15-29/h11-14,17-18,21-24,34-35H,5-10,15-16,30H2,1-4H3,(H,31,37)(H,32,36)(H,39,40)/t18-,21-,22-,23-,24-/m0/s1
InChIKeyIZEUJLTUOBKQOT-NHKCCNDQSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2008.05.031)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microginin AL584 (CHEBI:214653) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]propanoyl]-methylamino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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78438067ChemSpider