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CHEBI:221598 - Microginin 527 methyl ester

ChEBI IDCHEBI:221598
ChEBI NameMicroginin 527 methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43N3O7S
Net Charge0
Average Mass541.711
Monoisotopic Mass541.28217
SMILESCCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C26H43N3O7S/c1-5-6-7-8-9-10-20(27)23(31)25(33)29(2)22(15-16-37(4)35)24(32)28-21(26(34)36-3)17-18-11-13-19(30)14-12-18/h11-14,20-23,30-31H,5-10,15-17,27H2,1-4H3,(H,28,32)/t20-,21-,22-,23-,37?/m0/s1
InChIKeyLMUKNGXVZWJANM-DHWRZQMWSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (29405714)
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 527 methyl ester (CHEBI:221598) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulinylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate