Oscillaginin A (CHEBI:198099)

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CHEBI:198099 - Oscillaginin A

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ChEBI ID	CHEBI:198099
ChEBI Name	Oscillaginin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H47ClN4O8
Net Charge	0
Average Mass	615.168
Monoisotopic Mass	614.30824
SMILES	CC(C)[C@@H](C(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](O)[C@H](N)CCCCCCCCl
InChI	InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
InChIKey	QYOGCHNVZHLFTR-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 A (CHEBI:198099) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid

Manual Xrefs	Databases
34233455	ChemSpider