Microginin 704 (CHEBI:208874)

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CHEBI:208874 - Microginin 704

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ChEBI ID	CHEBI:208874
ChEBI Name	Microginin 704
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H52N4O9S
Net Charge	0
Average Mass	704.887
Monoisotopic Mass	704.34550
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(OC)cc1)C(=O)O
InChI	InChI=1S/C35H52N4O9S/c1-5-6-7-8-9-10-27(36)31(41)34(44)39(2)30(19-20-49(4)47)33(43)37-28(21-23-11-15-25(40)16-12-23)32(42)38-29(35(45)46)22-24-13-17-26(48-3)18-14-24/h11-18,27-31,40-41H,5-10,19-22,36H2,1-4H3,(H,37,43)(H,38,42)(H,45,46)/t27-,28-,29-,30-,31-,49?/m0/s1
InChIKey	IQSISHQRPPTNJD-FEBNODRBSA-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 704 (CHEBI:208874) 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-methoxyphenyl)propanoic acid

Manual Xrefs	Databases
78440674	ChemSpider