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CHEBI:222248 - Microginin 747A

ChEBI IDCHEBI:222248
ChEBI NameMicroginin 747A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50ClN5O10
Net Charge0
Average Mass748.274
Monoisotopic Mass747.32462
SMILESNC(CCCCCCCCl)C(O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C36H50ClN5O10/c37-17-5-3-1-2-4-7-26(38)31(46)34(49)41-29(21-43)35(50)42-18-6-8-30(42)33(48)39-27(19-22-9-13-24(44)14-10-22)32(47)40-28(36(51)52)20-23-11-15-25(45)16-12-23/h9-16,26-31,43-46H,1-8,17-21,38H2,(H,39,48)(H,40,47)(H,41,49)(H,51,52)
InChIKeyIEFYVENCGJIZIJ-UHFFFAOYSA-N
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 747A (CHEBI:222248) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid