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CHEBI:222203 - Microginin 729

ChEBI IDCHEBI:222203
ChEBI NameMicroginin 729
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H55N5O10
Net Charge0
Average Mass729.872
Monoisotopic Mass729.39489
SMILESCCCCCCCC(N)C(O)C(=O)NC(CO)C(=O)NC(C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C37H55N5O10/c1-5-6-7-8-9-10-27(38)32(46)35(49)40-29(21-43)33(47)41-31(22(2)3)36(50)42(4)30(20-24-13-17-26(45)18-14-24)34(48)39-28(37(51)52)19-23-11-15-25(44)16-12-23/h11-18,22,27-32,43-46H,5-10,19-21,38H2,1-4H3,(H,39,48)(H,40,49)(H,41,47)(H,51,52)
InChIKeyXSFWUQAXHYZUPF-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 729 (CHEBI:222203) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid