Spiroidesin (CHEBI:198456)

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CHEBI:198456 - Spiroidesin

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ChEBI ID	CHEBI:198456
ChEBI Name	Spiroidesin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H43N3O7
Net Charge	0
Average Mass	617.743
Monoisotopic Mass	617.31010
SMILES	CCCCCC(=O)N[C@H](CCc1ccc(O)cc1)C(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChI	InChI=1S/C35H43N3O7/c1-2-3-5-10-32(41)36-29(21-15-24-11-17-27(39)18-12-24)33(42)37-30(22-16-25-13-19-28(40)20-14-25)34(43)38-31(35(44)45)23-26-8-6-4-7-9-26/h4,6-9,11-14,17-20,29-31,39-40H,2-3,5,10,15-16,21-23H2,1H3,(H,36,41)(H,37,42)(H,38,43)(H,44,45)/t29-,30+,31-/m1/s1
InChIKey	XFLVJFHNXBWJDL-MJSOWUPRSA-N

Species of Metabolite	Component	Source	Comments
Dolichospermumspeciesroides (ncbitaxon:135104)	-	PubMed (12088439)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Spiroidesin (CHEBI:198456) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2R)-2-[[(2S)-2-[[(2R)-2-(hexanoylamino)-4-(4-hydroxyphenyl)butanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-phenylpropanoic acid

Manual Xrefs	Databases
553432	ChemSpider