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CHEBI:40868 - 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:40868
ChEBI Name6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H19N3O7S
Net Charge0
Average Mass361.376
Monoisotopic Mass361.09437
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]1([H])C(=O)N2[C@]1([H])S[C@]([H])(C([H])([H])O[H])[C@]2([H])C(=O)O[H]
InChIInChI=1S/C13H19N3O7S/c14-5(12(20)21)2-1-3-7(18)15-8-10(19)16-9(13(22)23)6(4-17)24-11(8)16/h5-6,8-9,11,17H,1-4,14H2,(H,15,18)(H,20,21)(H,22,23)/t5-,6+,8+,9+,11+/m0/s1
InChIKeyONQGMOJLKCORAC-DANLAGSESA-N
ChEBI Ontology
Outgoing Relation(s)
6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (CHEBI:40868) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,3S,5R,6R)-6-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidPDBeChem
6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACIDPDBeChem
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