Infant/Adult Nutritional Formula II (milk/whey/soy-based)
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Product Information
Product Notes
LGC Limited is a Licensed Distributor of NIST Standard Reference Materials®, NIST®, STANDARD REFERENCE MATERIAL®, SRM® and depictions or representations thereof, are trademarks and service marks of the National Institute of Standards and Technology of the Department of Commerce. Please register your SRM purchase on the NIST website at www.nist.gov/srm/registration-and-surveys.
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
{{ analyteItem.inchi[0].name }}
IUPAC
{{ analyteItem.iupac }}
Arachidonic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H32 O2
Molecular Weight
304.47
Accurate Mass
304.2402
SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
IUPAC
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
Ash
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Biotin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 N2 O3 S
Molecular Weight
244.31
Accurate Mass
244.0882
SMILES
OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChI
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
IUPAC
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Calcium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Ca
Molecular Weight
40.078
Accurate Mass
39.963
SMILES
[Ca]
InChI
InChI=1S/Ca
IUPAC
calcium
Capric Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 O2
Molecular Weight
172.26
Accurate Mass
172.1463
SMILES
CCCCCCCCCC(=O)O
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
IUPAC
decanoic acid
Caprylic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H16 O2
Molecular Weight
144.21
Accurate Mass
144.115
SMILES
CCCCCCCC(=O)O
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
IUPAC
octanoic acid
Chlorine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Cl2
Molecular Weight
70.91
Accurate Mass
69.9377
SMILES
ClCl
InChI
InChI=1S/Cl2/c1-2
IUPAC
molecular chlorine
Cholesterol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C27 H46 O
Molecular Weight
386.65
Accurate Mass
386.3549
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
IUPAC
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Choline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H14 N O
Molecular Weight
104.17
Accurate Mass
104.1075
SMILES
C[N+](C)(C)CCO
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
IUPAC
2-hydroxyethyl(trimethyl)azanium
Chromium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Cr
Molecular Weight
52.00
Accurate Mass
51.941
SMILES
[Cr]
InChI
InChI=1S/Cr
IUPAC
Chromium
cis alpha-Linolenic acid (ALA)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H30 O2
Molecular Weight
278.43
Accurate Mass
278.2246
SMILES
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
IUPAC
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
cis-Docosahexaenoic Acid (DHA)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H32 O2
Molecular Weight
328.49
Accurate Mass
328.2402
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
InChI
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
IUPAC
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
Cis-Monounsaturated Fatty Acids
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Cis-Polyunsaturated Fatty Acids
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Copper
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Cu
Molecular Weight
63.55
Accurate Mass
62.9296
SMILES
[Cu]
InChI
InChI=1S/Cu
IUPAC
copper
D-Pantothenic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N O5
Molecular Weight
219.24
Accurate Mass
219.1107
SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
IUPAC
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
DL-Carnitine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H15 N O3
Molecular Weight
161.20
Accurate Mass
161.1052
SMILES
C[N+](C)(C)CC(O)CC(=O)[O-]
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
IUPAC
3-hydroxy-4-(trimethylazaniumyl)butanoate
Fat
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Iodine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
I2
Molecular Weight
253.81
Accurate Mass
253.8089
SMILES
II
InChI
InChI=1S/I2/c1-2
IUPAC
molecular iodine
Iron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Fe
Molecular Weight
55.84
Accurate Mass
55.9349
SMILES
[Fe]
InChI
InChI=1S/Fe
IUPAC
iron
L-Ascorbic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H8 O6
Molecular Weight
176.12
Accurate Mass
176.0321
SMILES
OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
IUPAC
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
Lauric Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H24 O2
Molecular Weight
200.32
Accurate Mass
200.1776
SMILES
CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
IUPAC
dodecanoic acid
Linoleic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H32 O2
Molecular Weight
280.45
Accurate Mass
280.2402
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
IUPAC
(9Z,12Z)-octadeca-9,12-dienoic acid
Magnesium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Mg
Molecular Weight
24.30
Accurate Mass
23.985
SMILES
[Mg]
InChI
InChI=1S/Mg
IUPAC
magnesium
Manganese
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Mn
Molecular Weight
54.94
Accurate Mass
54.938
SMILES
[Mn]
InChI
InChI=1S/Mn
IUPAC
Manganese
Molybdenum
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Mo
Molecular Weight
95.95
Accurate Mass
-
SMILES
[Mo]
InChI
InChI=1S/Mo
IUPAC
Molybdenum
Myristic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H28 O2
Molecular Weight
228.37
Accurate Mass
228.2089
SMILES
CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
IUPAC
tetradecanoic acid
Nicotinamide (Vitamin B3)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 N2 O
Molecular Weight
122.12
Accurate Mass
122.048
SMILES
NC(=O)c1cccnc1
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
IUPAC
pyridine-3-carboxamide
Oleic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H34 O2
Molecular Weight
282.46
Accurate Mass
282.2559
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
IUPAC
(Z)-octadec-9-enoic acid
Palmitic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H32 O2
Molecular Weight
256.42
Accurate Mass
256.2402
SMILES
CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
IUPAC
hexadecanoic acid
Palmitoleic acid
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C16 H30 O2
Molecular Weight
254.41
Accurate Mass
254.2246
SMILES
CCCCCC\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
IUPAC
(Z)-hexadec-9-enoic acid
Phosphorus
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
P
Molecular Weight
30.97
Accurate Mass
30.9738
SMILES
[P]
InChI
InChI=1S/P
IUPAC
phosphorus
Potassium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
K
Molecular Weight
39.10
Accurate Mass
38.9637
SMILES
[K]
InChI
InChI=1S/K.H
IUPAC
potassium
Protein
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Saturated fatty acids
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Selenium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Se
Molecular Weight
78.96
Accurate Mass
79.9165
SMILES
[Se]
InChI
InChI=1S/Se
IUPAC
selenium
Sodium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Na
Molecular Weight
22.99
Accurate Mass
22.9898
SMILES
[Na]
InChI
InChI=1S/Na
IUPAC
sodium
Stearic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H36 O2
Molecular Weight
284.48
Accurate Mass
284.2715
SMILES
CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
IUPAC
octadecanoic acid
Thiamine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 N4 O S . Cl
Molecular Weight
300.8076
Accurate Mass
300.0812
SMILES
[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
InChI
/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)
IUPAC
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride
Total Omega-3 fatty acids
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Total Omega-6 fatty acids
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Total Solids
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
IUPAC
Total Solids
trans-Vaccenic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H34 O2
Molecular Weight
282.46
Accurate Mass
282.2559
SMILES
CCCCCC\C=C\CCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
IUPAC
(E)-octadec-11-enoic acid
Vitamin B2 (Riboflavin)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H20 N4 O6
Molecular Weight
376.36
Accurate Mass
376.1383
SMILES
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
InChI
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
IUPAC
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Vitamin B6 (Pyridoxine)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H11 N O3
Molecular Weight
169.18
Accurate Mass
169.0739
SMILES
Cc1ncc(CO)c(CO)c1O
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
IUPAC
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Zinc
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Zn
Molecular Weight
65.41
Accurate Mass
63.9291
SMILES
[Zn]
InChI
InChI=1S/Zn
IUPAC
zinc
Storage & Transport Information
Shipping Temperature
Dry ice
Country of Origin
UNITED STATES
Product Attributes
Matrix
Infant formula
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