Microginin 756 (CHEBI:213394)

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CHEBI:213394 - Microginin 756

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ChEBI ID	CHEBI:213394
ChEBI Name	Microginin 756
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H61N5O9
Net Charge	0
Average Mass	755.954
Monoisotopic Mass	755.44693
SMILES	CCCCCCCC(N)C(O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChI	InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
InChIKey	IFKUPHYTIDOPIM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Microcystisspecies (ncbitaxon:1127)	-	PubMed (22757607)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Microginin 756 (CHEBI:213394) is a peptide (CHEBI:16670)

IUPAC Name
2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid