5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine (CHEBI:49493)

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CHEBI:49493 - 5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine

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ChEBI ID	CHEBI:49493
ChEBI Name	5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine
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Downloads	Molfile

Formula	C26H42N10O5S
Net Charge	0
Average Mass	606.754
Monoisotopic Mass	606.30604
SMILES	[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]3([H])SC([H])([H])[C@]4([H])N([H])C(=O)N([H])[C@]34[H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])[H]
InChI	InChI=1S/C26H42N10O5S/c1-2-28-11-15-20(38)21(39)24(41-15)36-23-19(22(27)31-13-32-23)34-25(36)30-10-6-5-9-29-17(37)8-4-3-7-16-18-14(12-42-16)33-26(40)35-18/h13-16,18,20-21,24,28,38-39H,2-12H2,1H3,(H,29,37)(H,30,34)(H2,27,31,32)(H2,33,35,40)/t14-,15+,16-,18-,20+,21+,24+/m0/s1
InChIKey	GZOCMSGHLSHCGU-DGWADGOTSA-N

ChEBI Ontology

Outgoing Relation(s)
	5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine (CHEBI:49493) is a unclassifieds (CHEBI:27189)

Synonym	Source
5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine	PDBeChem

Manual Xrefs	Databases
BA2	PDBeChem