(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE (CHEBI:42981)

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CHEBI:42981 - (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE

Default Structure

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ChEBI ID	CHEBI:42981
ChEBI Name	(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C19H27N4O9S
Net Charge	-1
Average Mass	487.511
Monoisotopic Mass	487.15042
SMILES	[H]N(C(=O)C([H])([H])[N+]([H])([H])[H])[C@]([H])(C(=O)[O-])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]1([H])C(=O)N2[C@]1([H])SC([H])([H])[C@@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@]2([H])C(=O)[O-]
InChI	InChI=1S/C19H28N4O9S/c1-9(24)32-7-10-8-33-17-14(16(27)23(17)15(10)19(30)31)22-12(25)5-3-2-4-11(18(28)29)21-13(26)6-20/h10-11,14-15,17H,2-8,20H2,1H3,(H,21,26)(H,22,25)(H,28,29)(H,30,31)/p-1/t10-,11+,14-,15-,17-/m1/s1
InChIKey	JDAREAJBQYNCGO-IEVKHXHJSA-M

ChEBI Ontology

Outgoing Relation(s)
	(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE (CHEBI:42981) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(2S,3R,6R,7R)-3-[(acetyloxy)methyl]-7-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate	PDBeChem
(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE	PDBeChem

Manual Xrefs	Databases
H2A	PDBeChem