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Chemical structure of MCTR1

GC44138

MCTR1

Also known as (4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-14-hydroxydocosa-4,7,9,11,16,19-hexaenoic acid

Maresin conjugates in tissue regeneration 1 (MCTR1) is a specialized pro-resolving mediator (SPM) synthesized from docosahexaenoic acid in macrophages at the site of inflammation

ChemicalCAS1784701-61-6MW649.8FormulaC32H47N3O9S
CAS number
1784701-61-6
Molecular weight
649.8
Formula
C32H47N3O9S
Solubility
DMF： 50 mg/ml,DMSO： 50 mg/ml,Ethanol： 1 mg/ml,PBS (pH 7·2)： 100μ g/ml
InChIKey
NWYKIASJHFGEAN-CPMAONNBSA-N
Catalogue number
GC44138
Brand
GLPBIO
Computed properties PubChem CID 122368871 · XLogP 0.5 · TPSA 242 Ų · H-bond donors 7
XLogP
0.5
TPSA
242 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
25
Heavy atoms
45

SMILES CC/C=C\C/C=C\C[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\CCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

Computed descriptors from PubChem (CID 122368871), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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