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

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5-hydroxyhexanoic acid

	Properties	Image
MNX_ID	MNXM38155
reference	chebi:131434
formula	C₆H₁₂O₃
global charge	0
mol weight	132.159
InChIKey	YDCRNMJQROAWFT-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
SMILES	CC(O)CCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5?
SMILES (mnx)	[CH3:1][CH:5]([CH2:3][CH2:2][CH2:4][C:6](=[O:8])[OH:9])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131434 chebi:131434 YDCRNMJQROAWFT-UHFFFAOYSA-N	5-hydroxyhexanoic acid 5-OH-caproic acid 5-hydroxy caproic acid 5-hydroxy-hexanoic acid 5-hydroxycaproic acid
bigg.metabolite:5ohhexa biggM:5ohhexa vmhM:5ohhexa vmhmetabolite:5ohhexa YDCRNMJQROAWFT-UHFFFAOYSA-M	5-Hydroxyhexanoic Acid
hmdb:HMDB0000525 YDCRNMJQROAWFT-UHFFFAOYSA-N	5-Hydroxyhexanoic acid 5-Hydroxy caproate 5-Hydroxy caproic acid 5-Hydroxy-hexanoate 5-Hydroxy-hexanoic acid 5-Hydroxycaproate 5-Hydroxycaproic acid 5-Hydroxyhexanoate 5-OH-Caproate 5-OH-Caproic acid 5-hydroxyhexanoic acid
lipidmaps:LMFA01050014 lipidmapsM:LMFA01050014 YDCRNMJQROAWFT-UHFFFAOYSA-N	5-hydroxy caproic acid 5-hydroxy-hexanoic acid FA 6:0 O
CHEBI:132985 chebi:132985 YDCRNMJQROAWFT-UHFFFAOYSA-M	5-hydroxyhexanoate 5-hydroxycaproate
hmdb:HMDB00525 biggM:M_5ohhexa vmhM:M_5ohhexa	secondary/obsolete/fantasy identifier