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CHEBI:222344 - Microginin 550

ChEBI IDCHEBI:222344
ChEBI NameMicroginin 550
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N4O8
Net Charge0
Average Mass550.653
Monoisotopic Mass550.30026
SMILESCCCCCCCC(N)C(O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C27H42N4O8/c1-2-3-4-5-6-8-19(28)23(34)25(36)30-21(16-32)26(37)31-14-7-9-22(31)24(35)29-20(27(38)39)15-17-10-12-18(33)13-11-17/h10-13,19-23,32-34H,2-9,14-16,28H2,1H3,(H,29,35)(H,30,36)(H,38,39)
InChIKeyIHGGTMZLAXZULN-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 550 (CHEBI:222344) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid