2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide (CHEBI:122925)

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CHEBI:122925 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide

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ChEBI ID	CHEBI:122925
ChEBI Name	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
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Downloads	Molfile

Formula	C27H28N4O5
Net Charge	0
Average Mass	488.544
Monoisotopic Mass	488.20597
SMILES	O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1
InChI	InChI=1S/C27H28N4O5/c32-16-24-27-22(12-20(35-24)13-25(33)30-15-18-2-1-7-29-14-18)21-11-19(3-4-23(21)36-27)31-26(34)10-17-5-8-28-9-6-17/h1-9,11,14,20,22,24,27,32H,10,12-13,15-16H2,(H,30,33)(H,31,34)/t20-,22+,24+,27-/m1/s1
InChIKey	YINZFYFDFIPTOU-LQZFSELZSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide (CHEBI:122925) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-34368	LINCS