Sporidesmolide II (CHEBI:201550)

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CHEBI:201550 - Sporidesmolide II

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ChEBI ID	CHEBI:201550
ChEBI Name	Sporidesmolide II
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H60N4O8
Net Charge	0
Average Mass	652.874
Monoisotopic Mass	652.44111
SMILES	CCC(C)C1NC(=O)C(C(C)C)OC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(CC(C)C)NC1=O
InChI	InChI=1S/C34H60N4O8/c1-14-22(12)26-29(39)35-23(15-17(2)3)33(43)45-27(20(8)9)30(40)36-25(19(6)7)32(42)38(13)24(16-18(4)5)34(44)46-28(21(10)11)31(41)37-26/h17-28H,14-16H2,1-13H3,(H,35,39)(H,36,40)(H,37,41)
InChIKey	DLSXAPYFZQNLPN-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sporidesmolide II (CHEBI:201550) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9S,12R,15R,18S)-15-[(2S)-butan-2-yl]-4-methyl-3,12-bis(2-methylpropyl)-6,9,18-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
34990052	ChemSpider