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

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(S)-lipoic acid

MNXM1484 is deprecated and here replaced by MNXM1371178
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371178
reference	chebi:43796
formula	C₈H₁₄O₂S₂
global charge	0
mol weight	206.332
InChIKey	AGBQKNBQESQNJD-ZETCQYMHSA-N
InChI	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
SMILES	O=C(O)CCCC[C@H]1CCSS1

MNX internals

InChI (mnx)	InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][C:8](=[O:9])[OH:10])[CH2:3][C@H:7]1[CH2:5][CH2:6][S:11][S:12]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:43796 chebi:43796 AGBQKNBQESQNJD-ZETCQYMHSA-N	(S)-lipoic acid (S)-(-)-lipoic acid (S)-1,2-dithiolane-3-pentanoic acid (S)-alpha-lipoic acid 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid L-1,2-dithiolane 3-valeric acid L-6,8-thioctic acid L-6-thioctic acid LIPOIC ACID S-LA SLA thioctic acid l-form
hmdb:HMDB0014312 AGBQKNBQESQNJD-ZETCQYMHSA-N	(S)-Lipoic acid (-)-Thioctic acid (3S)-1,2-Dithiolane-3-pentanoic acid (S)-(-)-Lipoate (S)-(-)-Lipoic acid (S)-1,2-Dithiolane-3-pentanoate (S)-1,2-Dithiolane-3-pentanoic acid (S)-Lipoate (S)-Thioctic acid (S)-a-Lipoate (S)-a-Lipoic acid (S)-alpha-Lipoate (S)-alpha-Lipoic acid (S)-alpha-lipoate (S)-alpha-lipoic acid 1,2-Dithiolane-3-pentanoic acid 1,2-Dithiolane-3-valeric acid 5-(1,2-Dithiolan-3-yl)pentanoic acid 5-(1,2-Dithiolan-3-yl)valeric acid 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid 6,8-Thioctic acid 6-Thioctic acid ALA Acid, alpha-lipoic L-1,2-Dithiolane 3-valerate L-1,2-Dithiolane 3-valeric acid L-6,8-Thioctate L-6,8-Thioctic acid L-6-Thioctate L-6-Thioctic acid Lipoate Lipoic acid S-(-)-alpha-Lipoic acid S-LA SLA Thioctate L-form Thioctic acid Thioctic acid L-form alpha Lipoic acid
sabiork.compound:31139 sabiorkM:31139 AGBQKNBQESQNJD-ZETCQYMHSA-N	(S)-Lipoic acid (S)-Lipoate
hmdb:HMDB14312 chebi:30315 chebi:43790	secondary/obsolete/fantasy identifier