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

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(1S,2R,4S)-borneol

	Properties	Image
MNX_ID	MNXM1371484
reference	chebi:15394
formula	C₁₀H₁₈O
global charge	0
mol weight	154.253
InChIKey	DTGKSKDOIYIVQL-QXFUBDJGSA-N
InChI	InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
SMILES	CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2

MNX internals

InChI (mnx)	InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
SMILES (mnx)	[CH3:1][C:9]1([CH3:2])[C@H:7]2[CH2:4][CH2:5][C@:10]1([CH3:3])[C@H:8]([OH:11])[CH2:6]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15394 chebi:15394 DTGKSKDOIYIVQL-QXFUBDJGSA-N	(1S,2R,4S)-borneol (-)-Borneol (-)-borneol (1S,2R,4S)-(-)-Borneol (1S,2R,4S)-(-)-borneol (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol L-Borneol L-borneol Linderol l-borneol
lipidmaps:LMPR0102120004 lipidmapsM:LMPR0102120004 DTGKSKDOIYIVQL-CCNFQMFXSA-N	(-)-Borneol
hmdb:HMDB0034976 DTGKSKDOIYIVQL-QXFUBDJGSA-N	(-)-Borneol (1S,2R,4S)-(-)-Borneol (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (1S,2R,4S)-Borneol (1S-endo)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol 1,7,7-Trimethyl-(1R,2S,4R)-rel-bicyclo[2.2.1]heptan-2-ol 1,7,7-Trimethyl-endo-bicyclo[2.2.1]heptan-2-ol Borneol Borneol (8ci) Bornyl alcohol DL-Borneol Isoborneol Isoborneol, (1R-endo)-isomer Isoborneol, (1R-exo)-isomer Isoborneol, (1S-endo)-isomer Isoborneol, (1S-exo)-isomer Isoborneol, (endo)-isomer Isoborneol, (endo-(+-))-isomer Isoborneol, (exo)-isomer L-Borneol L-borneol Linderol Rel-(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol Sumatra camphor borneo Camphor endo-(-)-Bornan-2-ol endo-2-Bornanol endo-2-Camphanol endo-2-Hydroxy-1,7,7-trimethylnorbornane endo-2-Hydroxycamphane endo-Borneol
sabiork.compound:5788 sabiorkM:5788 DTGKSKDOIYIVQL-QXFUBDJGSA-N	(-)-Borneol (1S,2R,4S)-(-)-Borneol L-Borneol
kegg.compound:C01766 keggC:C01766 DTGKSKDOIYIVQL-CCNFQMFXSA-N	(-)-Borneol (1S,2R,4S)-(-)-Borneol Linderol l-Borneol
hmdb:HMDB0035614 hmdb:HMDB34976 hmdb:HMDB35614 chebi:10773 chebi:18478 chebi:83 keggC:M_C01766	secondary/obsolete/fantasy identifier