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CHEBI:222163 - Microginin 741A

ChEBI IDCHEBI:222163
ChEBI NameMicroginin 741A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H59N5O9
Net Charge0
Average Mass741.927
Monoisotopic Mass741.43128
SMILESCCCCCCCC(NC)C(O)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
InChIKeyAQINXMPZZHMZRR-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 741A (CHEBI:222163) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid