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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Dinoprostone, Activator of CatSper1;Activator of CatSper2;Activator of CatSper3;Activator of CatSper4;Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP rec
- ≥98%
Cas#: 363-24-6 Compound CID: 5280360

Formula: C₂₀H₃₂O₅ Molecular Weight: 352.47

IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N

InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1

Synonyms: PGE2 | (E,2R,3R)-7-[3-hydroxy-2-[(3S)-(3-hydroxy-1-octenyl)]-5-oxocyclopentyl]-5-heptenoic acid | l-Prostaglandin E2 ...
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Prostaglandin D2, Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor
- ≥99%
Cas#: 41598-07-6 Compound CID: 448457

Formula: C₂₀H₃₂O₅ Molecular Weight: 352.47

IUPAC Name: (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O

InChIKey: BHMBVRSPMRCCGG-OUTUXVNYSA-N

InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1

Synonyms: PGD2 | Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)- | (5Z,13E)-(15S)-9,15-dihydroxy-11-...
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Prostaglandin J2, Agonist of DP 1 receptor;Agonist of DP 2 receptor
- ≥95%
- 5 mg/mL in methyl acetate
Cas#: 60203-57-8 Compound CID: 5280884

Formula: C₂₀H₃₀O₄ Molecular Weight: 334.45

IUPAC Name: (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(C=CC1=O)CC=CCCCC(=O)O)O

InChIKey: UQOQENZZLBSFKO-POPPZSFYSA-N

InChI: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1

Synonyms: BDBM50594729 | C05957 | BML1-G07 | PGJ2 (Prostaglandin J2) | Prostaglandin J2 Lipid Maps(R) MS Standard | SR-05000002...
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Spermine, Agonist of CaS receptor;Channel blocker of K ir2.1;Channel blocker of K ir2.3;Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ;Channel blocker of TRPM4;Channel blocker of TRPM5;Channel blocker of
- ≥98%(GC)
Cas#: 71-44-3 Compound CID: 1103

Formula: C₁₀H₂₆N₄ Molecular Weight: 202.34

IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine

SMILES: C(CCNCCCN)CNCCCN

InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N

InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
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13,14-Dihydro-15-keto-prostaglandin F2α, Agonist of DP 2 receptor
- ≥95%
- A solution in methyl acetate
Cas#: 27376-76-7 Compound CID: 5283039

Formula: C₂₀H₃₄O₅ Molecular Weight: 354.48

IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O

InChIKey: VKTIONYPMSCHQI-XAGFEHLVSA-N

InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1

Synonyms: 13,14-Dihydro-15-keto-PGF2 | Pulmonary metabolite-pgf2alpha | 15-keto-dihydro-PGF2alpha | SMR000058898 | 13,14-dihydr...
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15-deoxy-δ12,14-Prostaglandin D2, Agonist of DP 2 receptor
- A solution in methyl acetate
Cas#: 85235-11-6 Compound CID: 5283052

Formula: C₂₀H₃₀O₄ Molecular Weight: 334.45

IUPAC Name: (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC=CC=C1C(C(CC1=O)O)CC=CCCCC(=O)O

InChIKey: QUGBPWLPAUHDTI-PLGLXCLHSA-N

InChI: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
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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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Prostaglandin E₂, Prostaglandin E2 receptor agonist
- ≥93%(HPLC)
Cas#: 363-24-6 Compound CID: 5280360

Formula: C₂₀H₃₂O₅ Molecular Weight: 352.47

IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N

InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1

Synonyms: (E,2R,3R)-7-[3-hydroxy-2-[(3S)-(3-hydroxy-1-octenyl)]-5-oxocyclopentyl]-5-heptenoic acid | l-Prostaglandin E2 | Prost...
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PGD₃, Agonist of DP 2 receptor
IUPAC Name: 7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid

SMILES: CCC=CC[C@@H](C=C[C@H]1C(=O)C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O

InChIKey: ANOICLBSJIMQTA-MLHJIOFPSA-N

InChI: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/t15-,16+,17+,18-/m0/s1
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