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CHEBI:208880 - Microginin 527

ChEBI IDCHEBI:208880
ChEBI NameMicroginin 527
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SubmitterMetaboLights
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FormulaC25H41N3O7S
Net Charge0
Average Mass527.684
Monoisotopic Mass527.26652
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)O
InChIInChI=1S/C25H41N3O7S/c1-4-5-6-7-8-9-19(26)22(30)24(32)28(2)21(14-15-36(3)35)23(31)27-20(25(33)34)16-17-10-12-18(29)13-11-17/h10-13,19-22,29-30H,4-9,14-16,26H2,1-3H3,(H,27,31)(H,33,34)/t19-,20-,21-,22-,36?/m0/s1
InChIKeyVUIHOFONJHXOQE-ZPPOLDLBSA-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 (CHEBI:208880) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulinylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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