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Endogenous Metabolite
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Hexadecanedioic AcidCas Number: 505-54-4 EC Number: 208-013-5Formula: C16H30O4 Molecular Weight: 286.41IUPAC Name: hexadecanedioic acidSMILES: C(CCCCCCCC(=O)O)CCCCCCC(=O)OInChIKey: QQHJDPROMQRDLA-UHFFFAOYSA-NInChI: InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)Synonyms: HY-W018161 | RF8 | SCHEMBL36069 | Thapsate | AS-11659 | Hexadecane-1,16-dioic acid | HEXADECANEDIOICACID | Thapsic ac...
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Hexadecanedioic AcidCas Number: 505-54-4 EC Number: 208-013-5Formula: C16H30O4 Molecular Weight: 286.41IUPAC Name: hexadecanedioic acidSMILES: C(CCCCCCCC(=O)O)CCCCCCC(=O)OInChIKey: QQHJDPROMQRDLA-UHFFFAOYSA-NInChI: InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)Synonyms: HY-W018161 | RF8 | SCHEMBL36069 | Thapsate | AS-11659 | Hexadecane-1,16-dioic acid | HEXADECANEDIOICACID | Thapsic ac...
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Lysine acetateCas Number: 57282-49-2Formula: C8H18N2O4 Molecular Weight: 206.24IUPAC Name: acetic acid;(2S)-2,6-diaminohexanoic acidSMILES: CC(=O)O.C(CCN)CC(C(=O)O)NInChIKey: RRNJROHIFSLGRA-JEDNCBNOSA-NInChI: InChI=1S/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)/t5-;/m0./s1Synonyms: Lysine, monoacetate | L-LYSINE, MONOACETATE | MFCD00039069 | TTL6G7LIWZ | L-Lysine Acetate, Pharmaceutical Secondary ...
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Retinoic acidCas Number: 302-79-4 EC Number: 206-129-0Formula: C20H28O2 Molecular Weight: 300.44IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acidSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)CInChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-NInChI: 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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Retinol, Agonist of Testicular receptor 4Cas Number: 68-26-8 EC Number: 200-683-7Formula: C20H30O Molecular Weight: 286.45IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)CInChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-NInChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+Synonyms: Chocola A | Vitamin A (Natural) | Vitamin A1, all-trans- | Vitpex | 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-t...
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Bisphenol BCas Number: 77-40-7Formula: C16H18O2 Molecular Weight: 242.32IUPAC Name: 4-[2-(4-hydroxyphenyl)butan-2-yl]phenolSMILES: CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: HTVITOHKHWFJKO-UHFFFAOYSA-NInChI: InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3Synonyms: Butane, 2,2-bis(4-hydroxyphenyl)- | Bisphenol B | H3W | NCGC00254184-01 | Tox21_300198 | D83792 | 4,2-butane | Butane...
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N-oleoyl-D-erythro-sphingosineCas Number: 5966-28-9 Compound CID: 5283563Formula: C36H69NO3 Molecular Weight: 563.938IUPAC Name: (Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadec-9-enamideSMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCC=CCCCCCCCC)OInChIKey: OBFSLMQLPNKVRW-RHPAUOISSA-NInChI: show more
Synonyms: C18:1 Ceramide (d18:1/18:1(9Z)) | N-Oleoyl-D-erythro-Sphingosine Ceramide C18:1 | AKOS037645154 | C18:1 Ceramide (d18... -
N-oleoylglycineCas Number: 2601-90-3 EC Number: 220-009-5Formula: C20H37NO3 Molecular Weight: 339.51IUPAC Name: 2-[[(Z)-octadec-9-enoyl]amino]acetic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)OInChIKey: HPFXACZRFJDURI-KTKRTIGZSA-NInChI: InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-Synonyms: N-oleoyl glycine | 2-Oleamidoacetic acid | 2-[[(Z)-octadec-9-enoyl]amino]acetic acid | 2-[[(Z)-1-Oxooctadec-9-Enyl]Am...
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N-palmitoyl-d31-D-erythro-sphingosylphosphorylcholineCas Number: 807617-46-5
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N-nervonoyl-1-deoxysphinganine (m18:0/24:1)Cas Number: 1246298-60-1 Compound CID: 73242204Formula: C42H83NO2 Molecular Weight: 634.114IUPAC Name: (Z)-N-[(2S,3R)-3-hydroxyoctadecan-2-yl]tetracos-15-enamideSMILES: CCCCCCCCCCCCCCCC(C(C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)OInChIKey: XBNZFPFCTSJHRI-FIIAPBGQSA-NInChI: show more Synonyms: N-(15Z-tetracosenoyl)-1-deoxysphinganine (m18:0/24:1)N-C24:1-1-deoxyDHCer
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Bisphenol A, Antagonist of Androgen receptor;Agonist of Estrogen receptor-βCas Number: 80-05-7 EC Number: 201-245-8Formula: C15H16O2 Molecular Weight: 228.29IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenolSMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: IISBACLAFKSPIT-UHFFFAOYSA-NInChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3Synonyms: Bis(4-hydroxyphenyl) dimethylmethane | bis-phenol-a | Bisphenol-A | DTXCID30182 | 4,2-propane | 4,4'-Dihydroxdiphenyl...
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Lipase PS, from Burkholderia cepaciaFormula:IUPAC Name: sodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolInChIKey: KZRPHCQLJZXMJV-UHFFFAOYSA-NInChI: InChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1Synonyms: 9001-62-1|RIZOLIPASE|Lipase AY 30|sodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diol|Lipase, triacylglycerol|NSC87878|NS...
