Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
Jump to:
Preferred Name

meropenem trihydrate
Synonyms

Meronem

Merrem

(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)
ID

http://purl.obolibrary.org/obo/CHEBI_6770
alternative term

Meronem

Merrem

(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)
bearer of

http://purl.obolibrary.org/obo/CHEBI_36047
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
overlaps

http://purl.obolibrary.org/obo/CHEBI_43968
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
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display