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CHEBI:213598 - Microginin

ChEBI IDCHEBI:213598
ChEBI NameMicroginin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H55N5O9
Net Charge0
Average Mass713.873
Monoisotopic Mass713.39998
SMILESCCCCCCCC(N)C(O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C37H55N5O9/c1-6-7-8-9-10-11-28(38)32(45)35(48)39-23(4)33(46)41-31(22(2)3)36(49)42(5)30(21-25-14-18-27(44)19-15-25)34(47)40-29(37(50)51)20-24-12-16-26(43)17-13-24/h12-19,22-23,28-32,43-45H,6-11,20-21,38H2,1-5H3,(H,39,48)(H,40,47)(H,41,46)(H,50,51)/t23-,28?,29-,30-,31-,32?/m0/s1
InChIKeyKPCUJSJUCHBAJR-UIDDANAXSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/0040-4039(93)85112-a)
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 (CHEBI:213598) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(3-amino-2-hydroxydecanoyl)amino]propanoyl]amino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
78438039ChemSpider