N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:101719)

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CHEBI:101719 - N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

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ChEBI ID	CHEBI:101719
ChEBI Name	N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
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Downloads	Molfile

Formula	C26H31N3O5
Net Charge	0
Average Mass	465.550
Monoisotopic Mass	465.22637
SMILES	O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1
InChI	InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1
InChIKey	CCIDSNZUNACLPU-PYTYSOFPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:101719) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-13081	LINCS