Oscillaginin B (CHEBI:216480)

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CHEBI:216480 - Oscillaginin B

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ChEBI ID	CHEBI:216480
ChEBI Name	Oscillaginin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H48N4O8
Net Charge	0
Average Mass	580.723
Monoisotopic Mass	580.34721
SMILES	CCCCCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CO)C(=O)N(C)[C@H](C(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)O)C(C)C
InChI	InChI=1S/C29H48N4O8/c1-5-6-7-8-9-10-21(30)25(36)27(38)32-23(17-34)28(39)33(4)24(18(2)3)26(37)31-22(29(40)41)16-13-19-11-14-20(35)15-12-19/h11-12,14-15,18,21-25,34-36H,5-10,13,16-17,30H2,1-4H3,(H,31,37)(H,32,38)(H,40,41)/t21-,22+,23+,24+,25+/m1/s1
InChIKey	FAFNVISAZDFOJC-RYWAYVEBSA-N

Species of Metabolite	Component	Source	Comments
Planktothrix agardhii (ncbitaxon:1160)	-	DOI (10.1016/s0031-9422(96)00767-4)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Oscillaginin B (CHEBI:216480) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid

Manual Xrefs	Databases
34516449	ChemSpider