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

Feedback

hexano-6-lactone

	Properties	Image
MNX_ID	MNXM2682
reference	chebi:17915
formula	C₆H₁₀O₂
global charge	0
mol weight	114.144
InChIKey	PAPBSGBWRJIAAV-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
SMILES	O=C1CCCCCO1

MNX internals

InChI (mnx)	InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
SMILES (mnx)	[CH2:1]1[CH2:2][CH2:4][C:6](=[O:7])[O:8][CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17915 chebi:17915 PAPBSGBWRJIAAV-UHFFFAOYSA-N	hexano-6-lactone 1,6-hexanolide 1-Oxa-2-oxocycloheptane 2-Oxepanone 2-oxacycloheptanone 2-oxohexamethylene oxide 6-Hexanolide 6-hexanolactone 6-hydroxyhexanoic acid lactone 6-hydroxyhexanoic acid, epsilon-lactone caprolactone epsilon-Caprolactone epsilon-caprolactone monomer hexan-6-olide hexanoic acid, epsilon-lactone oxepan-2-one
envipath:...d8f60ad86cb6 envipathM:...d8f60ad86cb6 PAPBSGBWRJIAAV-UHFFFAOYSA-N	1-Oxa-2-oxocycloheptane
seed.compound:cpd01294 seedM:cpd01294 PAPBSGBWRJIAAV-UHFFFAOYSA-N	2-Oxepanone 1-Oxa-2-oxocycloheptane 1-oxa-2-oxocycloheptane 6-Hexanolide 6-hexanolide Hexano-6-lactone epsilon-Caprolactone epsilon-caprolactone hexano-6-lactone
sabiork.compound:5864 sabiorkM:5864 PAPBSGBWRJIAAV-UHFFFAOYSA-N	6-Hexanolide 1-Oxa-2-oxocycloheptane 2-Oxepanone epsilon-Caprolactone hexano-6-lactone
envipath:...57f3a948745e envipathM:...57f3a948745e envipath:...e9b57643d257 envipathM:...e9b57643d257 PAPBSGBWRJIAAV-UHFFFAOYSA-N	compound 0053158
hmdb:HMDB0060476 PAPBSGBWRJIAAV-UHFFFAOYSA-N	epsilon-Caprolactone 1,6-Hexanolide 1-Oxa-2-oxocycloheptane 2-Oxacycloheptanone 2-Oxepanone 2-Oxohexamethylene oxide 6-Hexanolactone 6-Hexanolide 6-Hydroxyhexanoate lactone 6-Hydroxyhexanoate, epsilon-lactone 6-Hydroxyhexanoic acid lactone 6-Hydroxyhexanoic acid, epsilon-lactone Caprolactone Hexan-6-olide Hexano-6-lactone Hexanoate, epsilon-lactone Hexanoic acid, epsilon-lactone caprolactone epsilon-Caprolactone monomer epsilon-Captolactamium hydrogen sulfate oxepan-2-one
kegg.compound:C01880 keggC:C01880 PAPBSGBWRJIAAV-UHFFFAOYSA-N	epsilon-Caprolactone 1-Oxa-2-oxocycloheptane 2-Oxepanone 6-Hexanolide Hexano-6-lactone
metacyc.compound:CPD-101 metacycM:CPD-101 PAPBSGBWRJIAAV-UHFFFAOYSA-N	epsilon-caprolactone 1-oxa-2-oxocycloheptane 6-hexanolide hexano-6-lactone
vmhM:h6lactn vmhmetabolite:h6lactn PAPBSGBWRJIAAV-UHFFFAOYSA-N	hexano-6-lactone oxepan-2-one
hmdb:HMDB60476 chebi:12214 chebi:20720 chebi:2186 keggC:M_C01880 seedM:M_cpd01294 vmhM:M_h6lactn	secondary/obsolete/fantasy identifier