Metabolites-Aladdin Scientific

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Tetrahydro 11-Deoxycorticosterone, Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α4 subunit;Allosteric modulator of GABA A receptor α5 subunit;
Cas#: 567-03-3 Compound CID: 9974162

Formula: C₂₁H₃₄O₃ Molecular Weight: 334.49

IUPAC Name: 2-hydroxy-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O

InChIKey: CYKYBWRSLLXBOW-DATPGIFZSA-N

InChI: InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1

Synonyms: SCHEMBL5496387 | AKOS040756005 | PREGNAN-20-ONE, 3,21-DIHYDROXY-, (3.ALPHA.,5.BETA.)- | 21-Hydroxypregnanolone | EINE...
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2-oleoyl-LPA, Agonist of GPR35;Agonist of LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptor
IUPAC Name: {3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO

InChIKey: ZOOLJLSXNRZLDH-KTKRTIGZSA-N

InChI: InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
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farnesyl diphosphate, Agonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor;Activator of TRPV3
Cas#: 13058-04-3 Compound CID: 11132720

IUPAC Name: phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

SMILES: C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C

InChIKey: VWFJDQUYCIWHTN-FBXUGWQNSA-N

InChI: InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-
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farnesyl monophosphate, Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor
IUPAC Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate

SMILES: C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)C

InChIKey: ALEWCKXBHSDCCT-FBXUGWQNSA-N

InChI: InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-

Synonyms: SCHEMBL2506806 | FFT | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate | GTPL2911 | Farnesyl mon...
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phosphatidyl (3,5) inositol bisphosphate, Activator of TPC1;Activator of TPC2;Activator of TRPML1;Activator of TRPML2;Activator of TRPML3
Cas#: 214282-36-7 Compound CID: 643961

Formula:

IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1[C@H](O)[C@H](OP(=O)(O)O)C([C@@H]([C@H]1O)OP(=O)(O)O)O)O

InChIKey: UZMPYXSDDZXMAI-OHKKONBVSA-N

InChI: InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37-,38-,39-,40+,41?/m1/s1

Synonyms: CHEBI:82954 | 3,5-bis(dihydrogen phosphate) (9CI) | 1,2-diyl dihexadecanoate | DTXSID90349238 | phosphatidyl (3,5) in...
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