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

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Lipoyllysine

	Properties	Image
MNX_ID	MNXM60228
reference	chebi:175262
formula	C₁₄H₂₆N₂O₃S₂
global charge	0
mol weight	334.507
InChIKey	COTIXRRJLCSLLS-PIJUOVFKSA-N
InChI	InChI=1S/C14H26N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11-8-10-20-21-11/h11-12H,1-10,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
SMILES	N[C@H](CCCCNC(=O)CCCCC1CCSS1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C14H26N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11-8-10-20-21-11/h11-12H,1-10,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
SMILES (mnx)	[CH2:1]([CH2:2][CH2:7][C:13](=[N:16][CH2:9][CH2:4][CH2:3][CH2:6][C@H:12]([C:14](=[O:18])[OH:19])[NH2:15])[OH:17])[CH2:5][CH:11]1[CH2:8][CH2:10][S:20][S:21]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175262 chebi:175262 COTIXRRJLCSLLS-PIJUOVFKSA-N	Lipoyllysine (2R)-2-amino-6-[5-(dithiolan-3-yl)pentanoylamino]hexanoic acid
bigg.metabolite:CE2102 biggM:CE2102 COTIXRRJLCSLLS-PIJUOVFKSA-N	Lipoyllysine
hmdb:HMDB0012996 COTIXRRJLCSLLS-PIJUOVFKSA-N	Lipoyllysine (2R)-2-Amino-6-{[5-(1,2-dithiolan-3-yl)-1-hydroxypentylidene]amino}hexanoate (2R)-2-amino-6-[5-(1,2-dithiolan-3-yl)pentanamido]hexanoic acid DL-Lipoyl-L-lysine Lipoyl-N-epsilon-lysine mono-1,2-Dithiolane-3-pentanoate mono-1,2-Dithiolane-3-pentanoate-L-lysine mono-1,2-Dithiolane-3-pentanoic acid
vmhM:CE2102 vmhmetabolite:CE2102 COTIXRRJLCSLLS-PIJUOVFKSA-N	lipoyllysine (2R)-2-amino-6-[5-(1,2-dithiolan-3-yl)pentanamido]hexanoic acid
hmdb:HMDB12996 biggM:M_CE2102 vmhM:M_CE2102	secondary/obsolete/fantasy identifier