loading...| Preferred Name |
1,3-butylene glycol |
|
| Synonyms |
butane-1,3-diol Butane-1,3-diol 1,3-Butandiol (RS)-1,3-Butandiol 1,3-Butanediol 1,3-Dihydroxybutane 1,3 Butylene glycol 1,3-Butylene glycol 1-Methyl-1,3-propanediol 1,3-Butylenglykol beta-Butylene glycol Methyltrimethylene glycol |
|
| Definitions |
A butanediol compound having two hydroxy groups in the 1- and 3-positions. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_52683 |
|
| charge |
0 |
|
| database_cross_reference |
Gmelin:2409 Beilstein:1718945 HMDB:HMDB0031320 Reaxys:1718945 Wikipedia:1,3-Butanediol CAS:107-88-0 PMID:7455861 MetaCyc:CPD-12276 |
|
| definition |
A butanediol compound having two hydroxy groups in the 1- and 3-positions. |
|
| formula |
C4H10O2 |
|
| has_exact_synonym |
butane-1,3-diol Butane-1,3-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1,3-Butandiol (RS)-1,3-Butandiol 1,3-Butanediol 1,3-Dihydroxybutane 1,3 Butylene glycol 1,3-Butylene glycol 1-Methyl-1,3-propanediol 1,3-Butylenglykol beta-Butylene glycol Methyltrimethylene glycol |
|
| has_RxCUI |
1310542 |
|
| id |
CHEBI:52683 |
|
| in_subset | ||
| inchi |
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
|
| inchikey |
PUPZLCDOIYMWBV-UHFFFAOYSA-N |
|
| label |
butane-1,3-diol 1,3-butylene glycol |
|
| mass |
90.12100 |
|
| monoisotopicmass |
90.06808 |
|
| notation |
CHEBI:52683 |
|
| prefLabel |
1,3-butylene glycol |
|
| smiles |
CC(O)CCO |
|
| subClassOf |
http://purl.obolibrary.org/obo/OBI_0000047 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_52683 | PDRO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_52683 | CHEBI | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_52683 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_52683 | BIOMODELS | SAME_URI | |
| http://purl.bioontology.org/ontology/MESH/C028491 | MESH | LOOM | |
| http://purl.obolibrary.org/obo/DRON_00723469 | PDRO | LOOM | |
| http://phenomebrowser.net/ontologies/mesh/mesh.owl#C028491 | RH-MESH | LOOM | |
| http://purl.bioontology.org/ontology/RXNORM/1310542 | RXNORM | LOOM |