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

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trans-4-Hydroxycyclohexylacetic acid

	Properties	Image
MNX_ID	MNXM46947
reference	chebi:88508
formula	C₈H₁₄O₃
global charge	0
mol weight	158.197
InChIKey	ALTAAUJNHYWOGS-LJGSYFOKSA-N
InChI	InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7-
SMILES	O=C(O)C[C@H]1CC[C@H](O)CC1

MNX internals

InChI (mnx)	InChI=1/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7-
SMILES (mnx)	[CH2:1]1[CH2:3][C@H:7]([OH:9])[CH2:4][CH2:2][C@H:6]1[CH2:5][C:8](=[O:10])[OH:11]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88508 chebi:88508 ALTAAUJNHYWOGS-LJGSYFOKSA-N	trans-4-Hydroxycyclohexylacetic acid 2-[(1r,4r)-4-hydroxycyclohexyl]acetic acid 4-Hydroxy-cyclohexyl Acetic acid ester 4-Hydroxycyclohexyl acetate trans-4-Hydroxycyclohexylacetate
hmdb:HMDB0000451 ALTAAUJNHYWOGS-UHFFFAOYSA-N	cis-4-Hydroxycyclohexylacetic acid 2-(4-Hydroxycyclohexyl)acetate 2-(4-hydroxycyclohexyl)acetic acid 4-Hydroxy-cyclohexylessigsaeure 4-Hydroxycyclohexylacetate 4-Hydroxycyclohexylacetic acid 4-hydroxycyclohexylacetate cis-4-Hydroxycyclohexylacetate
CHEBI:89344 chebi:89344 ALTAAUJNHYWOGS-UHFFFAOYSA-N	cis-4-Hydroxycyclohexylacetic acid 2-(4-hydroxycyclohexyl)acetic acid 4-Hydroxy-cyclohexylessigsaeure 4-Hydroxycyclohexylacetate cis-4-Hydroxycyclohexylacetate
hmdb:HMDB0000909 ALTAAUJNHYWOGS-LJGSYFOKSA-N	trans-4-Hydroxycyclohexylacetic acid 2-[(1R,4R)-4-Hydroxycyclohexyl]acetate 2-[(1r,4r)-4-hydroxycyclohexyl]acetic acid 4-Hydroxy-cyclohexyl acetic acid ester 4-Hydroxycyclohexyl acetate [(1r,4r)-4-hydroxycyclohexyl]acetic acid trans-4-Hydroxycyclohexylacetate
hmdb:HMDB00451 hmdb:HMDB00909	secondary/obsolete/fantasy identifier