Metabolites-Aladdin Scientific

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Retinoic acid
- ≥98%
Cas#: 302-79-4 Compound CID: 444795

Formula: C₂₀H₂₈O₂ Molecular Weight: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
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1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine, Agonist of PAF receptor
- ≥98%
Cas#: 74389-68-7 Compound CID: 108156

Formula: C₂₆H₅₄NO₇P Molecular Weight: 523.68

IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C

InChIKey: HVAUUPRFYPCOCA-AREMUKBSSA-N

InChI: InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1

Synonyms: PAF C-16 | C16-02:0 PC
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Cervonic Acid（DHA）, Agonist of FFA1 receptor;Activator of K 2P10.1;Agonist of Retinoid X receptor-α;Activator of TRPA1
- ≥98%
Cas#: 6217-54-5 Compound CID: 445580

Formula: C₂₂H₃₂O₂ Molecular Weight: 328.49

IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid

SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N

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-

Synonyms: DHA | AB01563379_01 | 4,7,10,13,16,19-Docosahexaenoate | 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid...
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Methylcarbamyl-PAF, Agonist of PAF receptor
- ≥98%
Cas#: 91575-58-5 Compound CID: 124663

Formula: C₂₆H₅₅N₂O₇P Molecular Weight: 538.7

IUPAC Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC

InChIKey: FNFHZBKBDFRYHS-RUZDIDTESA-N

InChI: InChI=1S/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m1/s1

Synonyms: 1-O-Hexadecyl-2-O-(N-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholine | Fourneau 190 | Q27085367 | NCGC00161384-02 | ...
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Phytanic Acid, Agonist of Retinoid X receptor-α
- A solution in ethanol,＞96%
Cas#: 14721-66-5 Compound CID: 26840

Formula: C₂₀H₄₀O₂ Molecular Weight: 312.53

IUPAC Name: 3,7,11,15-tetramethylhexadecanoic acid

SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O

InChIKey: RLCKHJSFHOZMDR-UHFFFAOYSA-N

InChI: InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)

Synonyms: BDBM119875 | UNII-8OYE5TF5VL | HY-113067 | 3,7,11,15-tetramethyl-1-hexadecanoic acid | NSC 108698 | AS-82571 | J-0083...
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Retinoic acid, Retinoic acid receptor agonist
Cas#: 302-79-4 Compound CID: 444795

Formula: C₂₀H₂₈O₂ Molecular Weight: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
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Phytanic acid
- ≥96%
- mixture of isomers
Cas#: 14721-66-5 Compound CID: 26840

Formula: C₂₀H₄₀O₂ Molecular Weight: 312.53

IUPAC Name: 3,7,11,15-tetramethylhexadecanoic acid

SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O

InChIKey: RLCKHJSFHOZMDR-UHFFFAOYSA-N

InChI: InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)

Synonyms: NSC 108698 | BDBM119875 | UNII-8OYE5TF5VL | HY-113067 | 3,7,11,15-tetramethyl-1-hexadecanoic acid | NSC 108698 | AS-8...
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guanosine 5'-diphosphate, Activator of K ir6.1
Cas#: 146-91-8 Compound CID: 135398619

IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N

InChIKey: QGWNDRXFNXRZMB-UUOKFMHZSA-N

InChI: InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

Synonyms: 1fzq | guanosine-diphosphate | A808566 | Guanosine 5'-(trihydrogen diphosphate-P-32P) (9CI) | ((2R,3S,4R,5R)-5-(2-Ami...
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2-O-methyl-PAF C-18, Agonist of PAF receptor
Cas#: 138852-22-9 Compound CID: 132181

IUPAC Name: [2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-trimethylazaniumylethyl phosphate

SMILES: CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C

InChIKey: CIVAIADZNGBFHP-UHFFFAOYSA-N

InChI: InChI=1S/C29H60NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(2)24-34-25-29(37-28(3)31)26-36-38(32,33)35-23-22-30(4,5)6/h27,29H,7-26H2,1-6H3

Synonyms: 1-O-(2-Methyloctadecyl)-2-O-acetyl-rac-glycero-3-phosphocholine | 2-(Acetyloxy)-3-[(2-methyloctadecyl)oxy]propyl 2-(t...
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2-O-ethyl-PAF C-16, Agonist of PAF receptor
IUPAC Name: 2-[(2-ethoxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC

InChIKey: LPHUUVMLQFHHQG-UHFFFAOYSA-O

InChI: InChI=1S/C26H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-24-26(31-7-2)25-33-34(28,29)32-23-21-27(3,4)5/h26H,6-25H2,1-5H3/p+1
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