Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Preferred Name	meropenem trihydrate
Synonyms	(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid--water (1:3) Meronem Merrem
ID	http://purl.obolibrary.org/obo/CHEBI_6770
charge	0
database_cross_reference	DrugBank:DB00760 KEGG:D02222 CAS:119478-56-7
formula	C17H25N3O5S.3H2O
has part	http://purl.obolibrary.org/obo/CHEBI_43968
has_exact_synonym	(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid--water (1:3)
has_obo_namespace	chebi_ontology
has_related_synonym	Meronem Merrem
id	CHEBI:6770
in_subset	http://purl.obolibrary.org/obo/chebi#3_STAR
inchi	InChI=1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1
inchikey	CTUAQTBUVLKNDJ-OBZXMJSBSA-N
label	meropenem trihydrate
mass	437.50946
monoisotopicmass	437.18319
notation	CHEBI:6770
prefLabel	meropenem trihydrate
RO_0000087	http://purl.obolibrary.org/obo/CHEBI_36047
smiles	[H]O[H].[H]O[H].[H]O[H].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
subClassOf	http://purl.obolibrary.org/obo/CHEBI_35505

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_6770	DINTO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6770	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6770	BIOMODELS	SAME_URI
http://purl.jp/bio/4/id/200906017858471164	IOBC	LOOM
http://purl.obolibrary.org/obo/CHEBI_6770	DINTO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6770	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_6770	BIOMODELS	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/725669004	SNOMEDCT	LOOM