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CHEBI:222186 - Microginin 743

ChEBI IDCHEBI:222186
ChEBI NameMicroginin 743
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H57N5O10
Net Charge0
Average Mass743.899
Monoisotopic Mass743.41054
SMILESCCCCCCCC(N)C(O)C(=O)NC(CO)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/C38H57N5O10/c1-5-6-7-8-9-10-28(39)33(47)36(50)42-31(22-44)37(51)43(4)32(19-23(2)3)35(49)40-29(20-24-11-15-26(45)16-12-24)34(48)41-30(38(52)53)21-25-13-17-27(46)18-14-25/h11-18,23,28-33,44-47H,5-10,19-22,39H2,1-4H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
InChIKeyBAXHGTFYPXBRRP-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 743 (CHEBI:222186) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid