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CHEBI:222287 - Microginin 717

ChEBI IDCHEBI:222287
ChEBI NameMicroginin 717
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H53Cl2N5O8
Net Charge0
Average Mass718.720
Monoisotopic Mass717.32712
SMILESCC(C)CC(NC(=O)C(NC(=O)C(C)NC(=O)C(O)C(N)CCCCCCC(Cl)Cl)C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C33H53Cl2N5O8/c1-18(2)16-24(30(44)39-25(33(47)48)17-21-12-14-22(41)15-13-21)38-31(45)27(19(3)4)40-29(43)20(5)37-32(46)28(42)23(36)10-8-6-7-9-11-26(34)35/h12-15,18-20,23-28,41-42H,6-11,16-17,36H2,1-5H3,(H,37,46)(H,38,45)(H,39,44)(H,40,43)(H,47,48)
InChIKeyPGOCYMDESLNMJY-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 717 (CHEBI:222287) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[(3-amino-10,10-dichloro-2-hydroxydecanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid