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CHEBI:222241 - Microginin 713B

ChEBI IDCHEBI:222241
ChEBI NameMicroginin 713B
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SubmitterMetaboLights
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FormulaC36H51N5O10
Net Charge0
Average Mass713.829
Monoisotopic Mass713.36359
SMILESCCCCCCCC(N)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/C36H51N5O10/c1-2-3-4-5-6-8-26(37)31(45)34(48)40-29(21-42)35(49)41-18-7-9-30(41)33(47)38-27(19-22-10-14-24(43)15-11-22)32(46)39-28(36(50)51)20-23-12-16-25(44)17-13-23/h10-17,26-31,42-45H,2-9,18-21,37H2,1H3,(H,38,47)(H,39,46)(H,40,48)(H,50,51)
InChIKeyJSVJSIBNAWXLCR-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 713B (CHEBI:222241) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid