Microginin 690 (CHEBI:208868)

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CHEBI:208868 - Microginin 690

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ChEBI ID	CHEBI:208868
ChEBI Name	Microginin 690
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H50N4O9S
Net Charge	0
Average Mass	690.860
Monoisotopic Mass	690.32985
SMILES	CCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI	InChI=1S/C34H50N4O9S/c1-4-5-6-7-8-9-26(35)30(41)33(44)38(2)29(18-19-48(3)47)32(43)36-27(20-22-10-14-24(39)15-11-22)31(42)37-28(34(45)46)21-23-12-16-25(40)17-13-23/h10-17,26-30,39-41H,4-9,18-21,35H2,1-3H3,(H,36,43)(H,37,42)(H,45,46)/t26-,27-,28-,29-,30-,48?/m0/s1
InChIKey	LCOSSHYAIKTVFM-VKRCEVIMSA-N

Species of Metabolite	Component	Source	Comments
Microcystis (ncbitaxon:1125)	-	PubMed (29405714)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microginin 690 (CHEBI:208868) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
20577764	ChemSpider