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CHEBI:222222 - Microginin 761B

ChEBI IDCHEBI:222222
ChEBI NameMicroginin 761B
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SubmitterMetaboLights
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FormulaC37H52ClN5O10
Net Charge0
Average Mass762.301
Monoisotopic Mass761.34027
SMILESCC(O)C(NC(=O)C(O)C(N)CCCCCCCCl)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
InChIKeyNWKXLGDOMIUDOE-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 761B (CHEBI:222222) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid