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CHEBI:213841 - Microginin FR4

ChEBI IDCHEBI:213841
ChEBI NameMicroginin FR4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H55N5O10
Net Charge0
Average Mass741.883
Monoisotopic Mass741.39489
SMILESCCCCCCC[C@@H](NC)[C@H](O)C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@H](C)O
InChIInChI=1S/C38H55N5O10/c1-4-5-6-7-8-10-28(39-3)33(47)36(50)42-32(23(2)44)37(51)43-20-9-11-31(43)35(49)40-29(21-24-12-16-26(45)17-13-24)34(48)41-30(38(52)53)22-25-14-18-27(46)19-15-25/h12-19,23,28-33,39,44-47H,4-11,20-22H2,1-3H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)/t23-,28+,29-,30-,31-,32?,33-/m0/s1
InChIKeyUJVLZLPEXZJNMA-BZQGRHKVSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (29498640)
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 FR4 (CHEBI:213841) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-1-[(3S)-3-hydroxy-2-[[(2S,3R)-2-hydroxy-3-(methylamino)decanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid