MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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5-(4-hydroxy-but-1-ynyl)-2,2'-bithiophene

	Properties	Image
MNX_ID	MNXM4385
reference	chebi:16887
formula	C₁₂H₁₀OS₂
global charge	0
mol weight	234.345
InChIKey	ASKPCVROMAYWEF-UHFFFAOYSA-N
InChI	InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2
SMILES	OCCC#CC1=CC=C(C2=CC=CS2)S1

MNX internals

InChI (mnx)	InChI=1/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2
SMILES (mnx)	[C:1]([CH2:2][CH2:8][OH:13])#[C:4][C:10]1=[CH:6][CH:7]=[C:12]([C:11]2=[CH:5][CH:3]=[CH:9][S:14]2)[S:15]1

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
Identifier	Description
CHEBI:16887 chebi:16887 ASKPCVROMAYWEF-UHFFFAOYSA-N	5-(4-hydroxy-but-1-ynyl)-2,2'-bithiophene 4-(2,2'-bithien-5-yl)but-3-yn-1-ol 4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol 5-(4-Hydroxy-but-1-ynyl)-2,2'-bithiophene 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene
lipidmaps:LMFA12000354 lipidmapsM:LMFA12000354 ASKPCVROMAYWEF-UHFFFAOYSA-N	4-([2,2'-bithiophen]-5-yl)but-3-yn-1-ol 4-([2,2'-bithiophen]-5-yl)but-3-yn-1-ol
hmdb:HMDB0034453 ASKPCVROMAYWEF-UHFFFAOYSA-N	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol 4-(2,2'-Bithien-5-yl)but-3-yn-1-ol 4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol 4-[2,2'-Bithiophen]-5-yl-3-butyn-1-ol 4-[5-(2-Thienyl)-2-thienyl]-3-butyn-1-ol, 8ci 4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-ol 5-(4-Hydroxy-1-butynyl)-2,2'-bithiophene 5-(4-Hydroxy-but-1-ynyl)-2,2'-bithiophene 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene 5-4-HYDROXYBUT-1-ynyl-22-bithiophene
kegg.compound:C04486 keggC:C04486 ASKPCVROMAYWEF-UHFFFAOYSA-N	5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene 3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-
seed.compound:cpd02736 seedM:cpd02736 ASKPCVROMAYWEF-UHFFFAOYSA-N	5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene 3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)- 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene
metacyc.compound:5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE metacycM:5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE ASKPCVROMAYWEF-UHFFFAOYSA-N	5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene
hmdb:HMDB34453 chebi:12091 chebi:2019 chebi:20527 keggC:M_C04486 seedM:M_cpd02736	secondary/obsolete/fantasy identifier