Cusperin A (CHEBI:212789)

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CHEBI:212789 - Cusperin A

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ChEBI ID	CHEBI:212789
ChEBI Name	Cusperin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H42N4O8
Net Charge	0
Average Mass	538.642
Monoisotopic Mass	538.30026
SMILES	C=C1C[C@](OC)([C@H](O)C(=O)N/C=C/C(C)[C@@H](O)C(C)C(=O)N2CCC[C@H]2C(=O)NCC(N)=O)O[C@H](C)[C@@H]1C
InChI	InChI=1S/C26H42N4O8/c1-14(9-10-28-24(35)22(33)26(37-6)12-15(2)16(3)18(5)38-26)21(32)17(4)25(36)30-11-7-8-19(30)23(34)29-13-20(27)31/h9-10,14,16-19,21-22,32-33H,2,7-8,11-13H2,1,3-6H3,(H2,27,31)(H,28,35)(H,29,34)/b10-9+/t14?,16-,17?,18-,19+,21-,22-,26-/m1/s1
InChIKey	VANNEGUZJFATRF-ZXJKYMOHSA-N

Species of Metabolite	Component	Source	Comments
Cuspidothrix issatschenkoi (ncbitaxon:230752)	-	PubMed (29570981)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cusperin A (CHEBI:212789) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-N-(2-amino-2-oxoethyl)-1-[(E,3R)-3-hydroxy-6-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-2,4-dimethylhex-5-enoyl]pyrrolidine-2-carboxamide