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18:1 SM (d18:1/18:1)-[d9]

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Category	Standards
Catalog NO.	BPG-3152
Product Name	18:1 SM (d18:1/18:1)-[d9]
CAS	2342574-42-7
Molecular Formula	C41H72D9N2O6P
Molecular Weight	738.14

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Product Information

Synonyms	N-oleoyl-D-erythro-sphingosylphosphorylcholine-d9; 18:1 SM (d18:1/18:1)-d9; SM 18:1 (d18:1/18:1)-d9; C18:1 Sphingomyelin-d9; N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine-d9; N-oleoylsphingosine-1-phosphocholine-d9; N-Oleoylsphingomyelin-d9; 18:1 SM (d18:1/18:1(9Z))-d9
IUPAC Name	[(E,2S,3R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]octadec-4-enyl] 2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate
Canonical SMILES	CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCCC)O
InChI	InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b21-20-,34-32+/t39-,40+/m0/s1/i3D3,4D3,5D3
InChIKey	NBEADXWAAWCCDG-MIYYSBRESA-N
Purity	>99%
Solubility	Soluble in Chloroform, DCM, Methanol, Ammonium Hydroxide
Related CAS	108392-10-5 (unlabelled)
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	737.64
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 66.72%, H 12.29%, N 3.80%, O 13.00%, P 4.20%

References

1. Liu T, Tan Z, Yu J, Peng F, Guo J, Meng W, Chen Y, Rao T, Liu Z, Peng J. A conjunctive lipidomic approach reveals plasma ethanolamine plasmalogens and fatty acids as early diagnostic biomarkers for colorectal cancer patients. Expert Rev Proteomics. 2020 Mar;17(3):233-242. doi: 10.1080/14789450.2020.1757443. Epub 2020 May 4. PMID: 32306783. PubMed ID: 32306783.

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