Microginin FR1 (CHEBI:213400)

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CHEBI:213400 - Microginin FR1

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ChEBI ID	CHEBI:213400
ChEBI Name	Microginin FR1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H57N5O9
Net Charge	0
Average Mass	727.900
Monoisotopic Mass	727.41563
SMILES	CCCCCCCC(N)C(O)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI	InChI=1S/C38H57N5O9/c1-6-7-8-9-10-11-29(39)33(46)36(49)40-24(4)37(50)43(5)32(20-23(2)3)35(48)41-30(21-25-12-16-27(44)17-13-25)34(47)42-31(38(51)52)22-26-14-18-28(45)19-15-26/h12-19,23-24,29-33,44-46H,6-11,20-22,39H2,1-5H3,(H,40,49)(H,41,48)(H,42,47)(H,51,52)
InChIKey	BQGPJXHWGIKJKY-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Microcystisspecies (ncbitaxon:1127)	-	DOI (10.1111/j.1574-6968.1997.tb12612.x)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microginin FR1 (CHEBI:213400) is a peptide (CHEBI:16670)

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