2,3-dipalmitoyl-S-glycerylcysteine (CHEBI:61842)

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CHEBI:61842 - 2,3-dipalmitoyl-S-glycerylcysteine

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ChEBI ID	CHEBI:61842
ChEBI Name	2,3-dipalmitoyl-S-glycerylcysteine
Stars
ASCII Name	2,3-dipalmitoyl-S-glycerylcysteine
Definition	An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group is substituted by a 2,3-bis(palmitoyloxy)propyl group.
Secondary ChEBI ID	CHEBI:132199
Last Modified	14 June 2016
Submitter	Gareth Owen, Steve
Downloads	Molfile

Formula	C38H73NO6S
Net Charge	0
Average Mass	672.070
Monoisotopic Mass	671.51586
SMILES	CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C38H73NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)44-31-34(32-46-33-35(39)38(42)43)45-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)/t34?,35-/m0/s1
InChIKey	UPAQRWMRKQCLSD-HTIIIDOHSA-N

Species of Metabolite	Component	Source	Comments
Mycoplasma genitalium (ncbitaxon:2097)	-	PubMed (22817898)

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. Toll-like receptor 2 agonist An agonist that selectively binds to and activates the Toll-like receptor 2 (TLR 2, TLR-2) protein.

ChEBI Ontology

Outgoing Relation(s)
	2,3-dipalmitoyl-S-glycerylcysteine (CHEBI:61842) has functional parent hexadecanoic acid (CHEBI:15756)
	2,3-dipalmitoyl-S-glycerylcysteine (CHEBI:61842) has role Mycoplasma genitalium metabolite (CHEBI:131604)
	2,3-dipalmitoyl-S-glycerylcysteine (CHEBI:61842) has role Toll-like receptor 2 agonist (CHEBI:77161)
	2,3-dipalmitoyl-S-glycerylcysteine (CHEBI:61842) is a L-cysteine thioether (CHEBI:27532)

IUPAC Name
S-[2,3-bis(hexadecanoyloxy)propyl]-L-cysteine

Synonyms	Source
Pam2Cys	ChEBI
S-[2,3-bis(palmitoyloxy)propyl]cysteine	ChEBI
2,3-dipalmitoyl-S-glyceryl cysteine	ChEBI
2,3-dipalmitoyl-S-glyceryl-L-cysteine	ChEBI
2,3-dihexadecanoyl-S-glyceryl-L-cysteine	ChEBI
2,3-dihexadecanoyl-S-glyceryl cysteine	ChEBI

Registry Numbers	Sources
Reaxys:6673182	Reaxys

Citations