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CHEBI:222279 - Microginin 683

ChEBI IDCHEBI:222279
ChEBI NameMicroginin 683
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54ClN5O8
Net Charge0
Average Mass684.275
Monoisotopic Mass683.36609
SMILESCC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(O)C(N)CCCCCCCCl)C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C33H54ClN5O8/c1-19(2)17-25(30(43)38-26(33(46)47)18-22-12-14-23(40)15-13-22)37-31(44)27(20(3)4)39-29(42)21(5)36-32(45)28(41)24(35)11-9-7-6-8-10-16-34/h12-15,19-21,24-28,40-41H,6-11,16-18,35H2,1-5H3,(H,36,45)(H,37,44)(H,38,43)(H,39,42)(H,46,47)
InChIKeyAUVIZNMRPOJULG-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 683 (CHEBI:222279) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid