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CHEBI:222254 - Microginin 765

ChEBI IDCHEBI:222254
ChEBI NameMicroginin 765
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H49Cl2N5O9
Net Charge0
Average Mass766.720
Monoisotopic Mass765.29073
SMILESCC(NC(=O)C(O)C(N)CCCCCCC(Cl)Cl)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C36H49Cl2N5O9/c1-21(40-34(49)31(46)26(39)7-4-2-3-5-9-30(37)38)35(50)43-18-6-8-29(43)33(48)41-27(19-22-10-14-24(44)15-11-22)32(47)42-28(36(51)52)20-23-12-16-25(45)17-13-23/h10-17,21,26-31,44-46H,2-9,18-20,39H2,1H3,(H,40,49)(H,41,48)(H,42,47)(H,51,52)
InChIKeyRUVSWVJIBKXISF-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 765 (CHEBI:222254) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[(3-amino-10,10-dichloro-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid