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CHEBI:222351 - Microginin 534

ChEBI IDCHEBI:222351
ChEBI NameMicroginin 534
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SubmitterMetaboLights
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FormulaC27H42N4O7
Net Charge0
Average Mass534.654
Monoisotopic Mass534.30535
SMILESCCCCCCCC(N)C(O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C27H42N4O7/c1-3-4-5-6-7-9-20(28)23(33)25(35)29-17(2)26(36)31-15-8-10-22(31)24(34)30-21(27(37)38)16-18-11-13-19(32)14-12-18/h11-14,17,20-23,32-33H,3-10,15-16,28H2,1-2H3,(H,29,35)(H,30,34)(H,37,38)
InChIKeyVNBMYUGDBFAYON-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 534 (CHEBI:222351) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid