12-hydroxylauric acid (CHEBI:39567)

ChEBI > Main

CHEBI:39567 - 12-hydroxylauric acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	12-hydroxylauric acid

ChEBI ID	CHEBI:39567

Definition	A medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:39557, CHEBI:10616

Supplier Information	ZINC000008221270

Download	Molfile XML SDF

more structures >>

call loadScript javascripts\jsmol\core\package.js

call loadScript javascripts\jsmol\core\core.z.js -- required by ClazzNode

call loadScript javascripts\jsmol\J\awtjs2d\WebOutputChannel.js

Jmol JavaScript applet jmolApplet0_object__9951821214567924__ initializing

getValue debug = null

getValue logLevel = null

getValue allowjavascript = null

AppletRegistry.checkIn(jmolApplet0_object__9951821214567924__)

call loadScript javascripts\jsmol\core\corestate.z.js

viewerOptions:

{ "name":"jmolApplet0_object","applet":true,"documentBase":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39567","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__9951821214567924__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"9951821214567924","bgcolor":"#000" }

Jmol Version: 13.2.7 $Date: 2013-10-01 11:35:15 -0500 (Tue, 01 Oct 2013) $

java.vendor: j2s

java.version: 0.0

os.name: j2s

Access: ALL

memory: 0.0/0.0

processors available: 1

useCommandThread: false

appletId:jmolApplet0_object (signed)

starting HoverWatcher_1

getValue emulate = null

defaults = "Jmol"

getValue boxbgcolor = null

getValue bgcolor = #000

backgroundColor = "#000"

getValue ANIMFRAMECallback = null

getValue APPLETREADYCallback = Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

getValue ATOMMOVEDCallback = null

getValue CLICKCallback = null

getValue ECHOCallback = null

getValue ERRORCallback = null

getValue EVALCallback = null

getValue HOVERCallback = null

getValue LOADSTRUCTCallback = null

getValue MEASURECallback = null

getValue MESSAGECallback = null

getValue MINIMIZATIONCallback = null

getValue PICKCallback = null

getValue RESIZECallback = null

getValue SCRIPTCallback = null

getValue SYNCCallback = null

getValue STRUCTUREMODIFIEDCallback = null

getValue doTranslate = null

language=en_US

getValue popupMenu = null

getValue script = null

Jmol applet jmolApplet0_object__9951821214567924__ ready

call loadScript javascripts\jsmol\core\corescript.z.js

call loadScript javascripts\jsmol\J\script\FileLoadThread.js

starting QueueThread0_2

script 1 started

starting HoverWatcher_3

starting HoverWatcher_4

The Resolver thinks Mol

Mrv0541 07181410563D

starting HoverWatcher_5

Time for openFile(

Mrv0541 07181410563D

39 38 0 0 0 0 999 V2000

1.1483 0.9117 1.6770 O 0 0 0 0 0 0 0 0 0 0 0 0

10.5803 -9.3168 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0

9.9120 -8.1530 -1.9336 C 0 0 1 0 0 0 0 0 0 0 0 0

11.6160 -9.1471 -0.6262 O 0 0 0 0 0 0 0 0 0 0 0 0

8.7330 -7.8293 -1.0400 C 0 0 2 0 0 0 0 0 0 0 0 0

8.3330 -6.3774 -1.1510 C 0 0 1 0 0 0 0 0 0 0 0 0

7.0958 -6.0720 -0.3165 C 0 0 2 0 0 0 0 0 0 0 0 0

6.5255 -4.7857 -0.8894 C 0 0 1 0 0 0 0 0 0 0 0 0

5.7453 -4.0021 0.1585 C 0 0 1 0 0 0 0 0 0 0 0 0

4.5955 -3.3159 -0.5676 C 0 0 1 0 0 0 0 0 0 0 0 0

3.5787 -2.6664 0.3943 C 0 0 2 0 0 0 0 0 0 0 0 0

4.0728 -1.3622 1.0474 C 0 0 2 0 0 0 0 0 0 0 0 0

9.9882 -10.5557 -1.2691 O 0 0 0 0 0 0 0 0 0 0 0 0

2.9606 -0.7575 1.9207 C 0 0 1 0 0 0 0 0 0 0 0 0

1.8505 -0.1580 1.0278 C 0 0 2 0 0 0 0 0 0 0 0 0

10.6292 -7.2937 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0

9.5859 -8.3979 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0

9.0441 -8.0435 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0

7.8540 -8.4898 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0

9.1706 -5.7205 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0

8.1323 -6.1386 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0

7.3641 -5.8859 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0

6.3703 -6.9390 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0

7.3864 -4.1658 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0

5.8635 -5.0455 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0

5.3250 -4.7247 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0

6.3996 -3.2587 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0

5.0174 -2.5219 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0

4.0567 -4.0851 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3436 -3.3964 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6378 -2.4304 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0

4.3259 -0.6134 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0

4.9742 -1.5576 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0

9.1449 -10.6704 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0

2.5129 -1.5799 2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0

3.3689 0.0396 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3305 0.2392 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1179 -0.9662 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0

0.3773 1.0725 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0

15 1 1 0 0 0 0

39 1 1 0 0 0 0

2 3 1 0 0 0 0

2 4 2 0 0 0 0

2 13 1 0 0 0 0

3 5 1 0 0 0 0

16 3 1 0 0 0 0

17 3 1 0 0 0 0

5 6 1 0 0 0 0

18 5 1 0 0 0 0

19 5 1 0 0 0 0

6 7 1 0 0 0 0

20 6 1 0 0 0 0

21 6 1 0 0 0 0

7 8 1 0 0 0 0

22 7 1 0 0 0 0

23 7 1 0 0 0 0

8 9 1 0 0 0 0

24 8 1 0 0 0 0

25 8 1 0 0 0 0

9 10 1 0 0 0 0

26 9 1 0 0 0 0

27 9 1 0 0 0 0

10 11 1 0 0 0 0

28 10 1 0 0 0 0

29 10 1 0 0 0 0

11 12 1 0 0 0 0

30 11 1 0 0 0 0

31 11 1 0 0 0 0

14 12 1 0 0 0 0

32 12 1 0 0 0 0

33 12 1 0 0 0 0

34 13 1 0 0 0 0

15 14 1 0 0 0 0

35 14 1 0 0 0 0

36 14 1 0 0 0 0

37 15 1 0 0 0 0

38 15 1 0 0 0 0

M END): 30 ms

reading 39 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

39 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Molfile

Formulae

C12H24O3
C12H24O3

Net Charge

Average Mass

216.31720

Monoisotopic Mass

216.17254

InChI

InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)

InChIKey

ZDHCZVWCTKTBRY-UHFFFAOYSA-N

SMILES

OCCCCCCCCCCCC(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	12-hydroxylauric acid (CHEBI:39567) has functional parent dodecanoic acid (CHEBI:30805) 12-hydroxylauric acid (CHEBI:39567) has role human metabolite (CHEBI:77746) 12-hydroxylauric acid (CHEBI:39567) is a ω-hydroxy-medium-chain fatty acid (CHEBI:194303) 12-hydroxylauric acid (CHEBI:39567) is conjugate acid of 12-hydroxylaurate (CHEBI:36204)

Incoming	(3R)-3,12-dihydroxylauric acid (CHEBI:79278) has functional parent 12-hydroxylauric acid (CHEBI:39567) oscr#20 (CHEBI:79142) has functional parent 12-hydroxylauric acid (CHEBI:39567) 12-hydroxylaurate (CHEBI:36204) is conjugate base of 12-hydroxylauric acid (CHEBI:39567)

IUPAC Name

12-hydroxydodecanoic acid

Synonyms	Sources
12-hydroxy lauric acid	LIPID MAPS
12-Hydroxydodecanoic acid	KEGG COMPOUND
12-HYDROXYDODECANOIC ACID	PDBeChem
2-hydroxy-dodecanoic acid	LIPID MAPS
ω-hydroxy lauric acid	ChEBI
omega-Hydroxydodecanoic acid	KEGG COMPOUND
omega-Hydroxydodecanoic acid	KEGG COMPOUND
ω-hydroxydodecanoic acid	ChEBI
ω-OH dodecanoic acid	ChEBI
ω-OH lauric acid	ChEBI

Manual Xrefs	Databases
12H	PDBeChem
C00001219	KNApSAcK
C08317	KEGG COMPOUND
DB03704	DrugBank
HMDB0002059	HMDB
LMFA01050039	LIPID MAPS
View more database links

Registry Numbers	Types	Sources
1238370	Beilstein Registry Number	Beilstein
1238370	Reaxys Registry Number	Reaxys
505-95-3	CAS Registry Number	KEGG COMPOUND
505-95-3	CAS Registry Number	NIST Chemistry WebBook
505-95-3	CAS Registry Number	ChemIDplus

Citations

Last Modified

24 January 2023

CHEBI:39567 - 12-hydroxylauric acid

ChEBI is part of the ELIXIR infrastructure