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butane-1,3-diol

PropertiesImage
MNX_IDMNXM44971 Image of MNXM44971
referencechebi:52683
formulaC4H10O2
global charge0
mol weight90.122
InChIKeyPUPZLCDOIYMWBV-UHFFFAOYSA-N
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
SMILESCC(O)CCO
MNX internals
InChI (mnx)InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4? Image of MNXM44971
SMILES (mnx)[CH3:1][CH:4]([CH2:2][CH2:3][OH:5])[OH:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52683
chebi:52683
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		butane-1,3-diol
(RS)-1,3-Butandiol
1,3 Butylene glycol
1,3-Butandiol
1,3-Butanediol
1,3-Butylene glycol
1,3-Butylenglykol
1,3-Dihydroxybutane
1-Methyl-1,3-propanediol
Butane-1,3-diol
Methyltrimethylene glycol
beta-Butylene glycol

seed.compound:cpd23328
seedM:cpd23328
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		(RS)-1,3-butandiol
1,3 butylene glycol
1,3-Butanediol
1,3-Butylene glycol
1,3-butanediol
1,3-dihydroxybutane
1-methyl-1,3-propanediol
beta-butylene glycol
butane-1,3-diol
methyltrimethylene glycol

sabiork.compound:26208
sabiorkM:26208
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		1,3-Butanediol
hmdb:HMDB0031320
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		1,3-Butanediol
(+/-)-1,3-butanediol
(.+/-.)-1,3-butanediol
(R)-(-)-Butane-1,3-diol
(R)-1,3-Butanediol
(RS)-1,3-Butandiol
(S)-(+)-1,3-Butanediol
(S)-(+)-Butane-1,3-diol
(S)-1,3-Butanediol
1,3 Butylene glycol
1,3-Butandiol
1,3-Butanodiol
1,3-Butylene glycol
1,3-Butylene glycol, (14)C-labeled
1,3-Butylene glycol, (DL)-isomer
1,3-Butylene glycol, (R)-isomer
1,3-Butylene glycol, (S)-isomer
1,3-Butylenglykol
1,3-Dihydroxybutane
1,3-butanediol
1-Methyl-1,3-propanediol
BD
Butane-1,3-diol
Butylene glycol
DL-1,3-Butanediol
Methyltrimethylene glycol
b-Butylene glycol
beta-Butylene glycol
beta-butylene glycol
butane-1,3-diol

kegg.compound:C20335
keggC:C20335
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		1,3-Butanediol
1,3-Butylene glycol

kegg.drug:D10695
keggD:D10695
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		Butylene glycol (NF)
1,3-Butylene glycol

metacyc.compound:CPD-12276
metacycM:CPD-12276
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		butane-1,3-diol
(RS)-1,3-butandiol
1,3 butylene glycol
1,3-butanediol
1,3-dihydroxybutane
1-methyl-1,3-propanediol
beta-butylene glycol
methyltrimethylene glycol

envipath:...0c848faf37d8
envipathM:...0c848faf37d8
PUPZLCDOIYMWBV-UHFFFAOYSA-N 		compound 0048853

hmdb:HMDB31320
keggC:M_C20335
keggD:M_D10695
seedM:M_cpd23328 		secondary/obsolete/fantasy identifier