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CHEBI:222356 - Microginin 568

ChEBI IDCHEBI:222356
ChEBI NameMicroginin 568
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SubmitterMetaboLights
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FormulaC27H41ClN4O7
Net Charge0
Average Mass569.099
Monoisotopic Mass568.26638
SMILESCC(NC(=O)C(O)C(N)CCCCCCCCl)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C27H41ClN4O7/c1-17(30-25(36)23(34)20(29)8-5-3-2-4-6-14-28)26(37)32-15-7-9-22(32)24(35)31-21(27(38)39)16-18-10-12-19(33)13-11-18/h10-13,17,20-23,33-34H,2-9,14-16,29H2,1H3,(H,30,36)(H,31,35)(H,38,39)
InChIKeyNJDILFPPWHNJRA-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 568 (CHEBI:222356) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid