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CHEBI:222235 - Microginin 757B

ChEBI IDCHEBI:222235
ChEBI NameMicroginin 757B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H57Cl2N5O8
Net Charge0
Average Mass758.785
Monoisotopic Mass757.35842
SMILESCC(C)CC(C(=O)NC(Cc1ccc(O)cc1)C(=O)O)N(C)C(=O)C(NC(=O)C1CCCN1C(=O)C(O)C(N)CCCCCCC(Cl)Cl)C(C)C
InChIInChI=1S/C36H57Cl2N5O8/c1-21(2)19-28(33(47)40-26(36(50)51)20-23-14-16-24(44)17-15-23)42(5)34(48)30(22(3)4)41-32(46)27-12-10-18-43(27)35(49)31(45)25(39)11-8-6-7-9-13-29(37)38/h14-17,21-22,25-31,44-45H,6-13,18-20,39H2,1-5H3,(H,40,47)(H,41,46)(H,50,51)
InChIKeyASZGJLSRMKWZDG-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 757B (CHEBI:222235) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[1-(3-amino-10,10-dichloro-2-hydroxydecanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid