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CHEBI:222179 - Microginin 739B

ChEBI IDCHEBI:222179
ChEBI NameMicroginin 739B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H57N5O9
Net Charge0
Average Mass739.911
Monoisotopic Mass739.41563
SMILESCCCCCCCC(N)C(O)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C39H57N5O9/c1-5-6-7-8-9-11-29(40)34(47)36(49)42-33(24(2)3)35(48)41-30(22-25-13-17-27(45)18-14-25)37(50)44-21-10-12-31(44)38(51)43(4)32(39(52)53)23-26-15-19-28(46)20-16-26/h13-20,24,29-34,45-47H,5-12,21-23,40H2,1-4H3,(H,41,48)(H,42,49)(H,52,53)
InChIKeyZJFHHVNIKZVNFO-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 739B (CHEBI:222179) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[1-[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-(4-hydroxyphenyl)propanoic acid