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16:0-[d31]-18:1 PI (ammonium salt)

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General Information
Catalog: BLP-011444
CAS: 799812-61-6
Molecular Formula: C43H53D31NO13P
Molecular Weight: 885.29

Chemical Structure

Synonyms	1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphoinositol (ammonium salt)
IUPAC Name	azanium;[(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC.[NH4+]
InChI	InChI=1S/C43H81O13P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52);1H3/b18-17-;/t35-,38?,39-,40?,41?,42?,43?;/m1./s1/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2;
InChI Key	NPOZNLWSCICHRX-KUZYBKNHSA-N
Purity	>99%
Storage	Store at −20°C