ZINC100067438 (CHEBI:182255)

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CHEBI:182255 - ZINC100067438

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ChEBI ID	CHEBI:182255
ChEBI Name	ZINC100067438
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H31NO4
Net Charge	0
Average Mass	373.493
Monoisotopic Mass	373.22531
SMILES	[H][C@@]12CC[C@@H](C)C[C@@]1([H])C=C[C@@H](/C=C/C)[C@@]2(C)C(O)=C1C(=O)[C@@H](CO)N(C)C1=O
InChI	InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18?/t13-,14-,15-,16-,17-,22-/m1/s1
InChIKey	QNQBPPQLRODXET-MUNKVMLYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	ZINC100067438 (CHEBI:182255) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
(5R)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione