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Monoisotopic exact mass is greater than: Monoisotopic exact mass is less than: Inchikey contains: Inchi contains: Smiles contains: Molecular formula contains: Compound name contains: Natural product inchikey1: Pubchem cids contains: Hmdb ids contains: Kegg ids contains: Chebi ids contains: Kingdom contains: Superclass contains: class contains: Subclass contains: Direct parent contains: Molecular framework contains: Predicted lipidmaps terms contains: Assay contains: Extraction contains: Spe frac contains: Chromatography contains: Measurement contains: Polarity contains: Lcmsdimsbool: Nmrbool: Gcmsbool: Smbool: Metfragbool: Siriusbool: Mzcloudsmbool: Galaxysmbool: Gnpssmbool: Msi level contains:


Monoisotopic exact mass is greater than
Monoisotopic exact mass is less than
Inchikey contains
Inchi contains
Smiles contains
Molecular formula contains
Compound name contains
Natural product inchikey1
Pubchem cids contains
Hmdb ids contains
Kegg ids contains
Chebi ids contains
Kingdom contains
Superclass contains
class contains
Subclass contains
Direct parent contains
Molecular framework contains
Predicted lipidmaps terms contains
Assay contains
Extraction contains
Spe frac contains
Chromatography contains
Measurement contains
Polarity contains
Lcmsdimsbool
Nmrbool
Gcmsbool
Smbool
Metfragbool
Siriusbool
Mzcloudsmbool
Galaxysmbool
Gnpssmbool
Msi level contains

Summary

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ID	Inchikey	Inchikey1	Smiles	Molecular formula	Monoisotopic exact mass	Compound name	Natural product inchikey1	Pubchem cids	Hmdb ids	Kegg ids	Chebi ids	Kingdom	Superclass	class	Subclass	Direct parent	Molecular framework	Predicted lipidmaps terms	Assay	Extraction	Spe	Spe frac	Chromatography	Measurement	Polarity	Lcmsdimsbool	Gcmsbool	Smbool	Metfragbool	Siriusbool	Mzcloudbool	Galaxysmbool	Gnpssmbool	Msi level
55568	WWUZIQQURGPMPG-CCEZHUSRSA-N	WWUZIQQURGPMPG	CCCCCCCCCCCCC/C=C/C(C(CO)N)O	C18H37NO2	299.2824294	(2S,3R,4E)-2-Amino-4-octadecene-1,3-diol	✔	5353955	HMDB0000252	—	—	Organic compounds	Organic nitrogen compounds	Organonitrogen compounds	Amines	1,2-aminoalcohols	Aliphatic acyclic compounds	—	—	APOLAR, POLAR	AMP, WAX, WCX	AMP_2, AMP_3, NA_NA, WAX_2, WCX_1	AMD, C30, PHE	LCMSMS	POSITIVE	✔	✘	✔	✔	✔	—	✘	✘	2
55587	WXUAQHNMJWJLTG-UHFFFAOYSA-N	WXUAQHNMJWJLTG	CC(CC(=O)O)C(=O)O	C5H8O4	132.0422587	MEZ	✔	10349	HMDB0001844	—	—	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Methyl-branched fatty acids	Aliphatic acyclic compounds	Dicarboxylic acids (FA0117), Branched fatty acids (FA0102), Fatty Acyls (FA), Fatty Acids and Conjugates (FA01)	—	POLAR	WAX, WCX	WAX_3, WCX_2	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✘	✔	2
55626	XBGGUPMXALFZOT-VIFPVBQESA-N	XBGGUPMXALFZOT	C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)C[NH3+])O	C11H14N2O4	238.0953569	Gly-Tyr	✔	92829, 6994980	HMDB0028853	—	CHEBI:73517	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	Peptides	Aromatic homomonocyclic compounds	—	—	POLAR	WAX, WCX	NA_NA, WAX_1, WCX_1	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
55642	XCCTYIAWTASOJW-XVFCMESISA-N	XCCTYIAWTASOJW	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)[O-])[OH2+])[OH2+]	C9H14N2O12P2	404.0021979	UDP	✔	6031, 146015339	HMDB0000295	C00015	CHEBI:17659	Organic compounds	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine ribonucleotides	Pyrimidine ribonucleoside diphosphates	Aromatic heteromonocyclic compounds	—	—	POLAR	WAX, WCX	NA_NA, WAX_4, WCX_1, WCX_2, WCX_4	AMD, PHE	DIMSn, LCMSMS, NMR	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	1, 2
55804	XOAAWQZATWQOTB-UHFFFAOYSA-N	XOAAWQZATWQOTB	C(CS(=O)(=O)[O-])[NH3+]	C2H7NO3S	125.0146643	taurine	✔	1123, 4068592	HMDB0000251	D00047, C00245	CHEBI:507393, CHEBI:15891	Organic compounds	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives	Organosulfonic acids	Aliphatic acyclic compounds	—	—	POLAR	WAX, WCX	NA_NA, WAX_1, WCX_1, WCX_2	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
55871	XTWYTFMLZFPYCI-KQYNXXCUSA-N	XTWYTFMLZFPYCI	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N	C10H15N5O10P2	427.0294157	adenosine diphosphate	✔	6022	HMDB0001341	C00008	CHEBI:16761	Organic compounds	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine ribonucleotides	Purine ribonucleoside diphosphates	Aromatic heteropolycyclic compounds	—	—	POLAR	WAX, WCX	WAX_4, WCX_1	PHE	LCMSMS	NEGATIVE	✔	✘	✔	✔	✔	—	✘	✘	2
55888	XVOYSCVBGLVSOL-UHFFFAOYSA-N	XVOYSCVBGLVSOL	C(C(C(=O)O)N)S(=O)(=O)O	C3H7NO5S	169.0044935	Cipteate	✔	25701	HMDB0002757	—	CHEBI:21260	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	Alpha amino acids	Aliphatic acyclic compounds	—	—	POLAR	WAX, WCX	NA_NA, WAX_1, WAX_4, WCX_1	AMD	LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✘	2
55967	YBJHBAHKTGYVGT-ZKWXMUAHSA-N	YBJHBAHKTGYVGT	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2	C10H16N2O3S	244.0881636	D-biotin factor s	✔	171548	HMDB0000030	C00120, D00029	CHEBI:15956	Organic compounds	Organoheterocyclic compounds	Biotin and derivatives	Undefined	Biotin and derivatives	Aliphatic heteropolycyclic compounds	Fatty Acids and Conjugates (FA01), Thia fatty acids (FA0113), Heterocyclic fatty acids (FA0115), Fatty Acyls (FA)	—	POLAR	WAX, WCX	NA_NA, WAX_1, WAX_2, WAX_3, WCX_1	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
56000	YDGMGEXADBMOMJ-LURJTMIESA-N	YDGMGEXADBMOMJ	CN(C)C(=NCCC[C@@H](C(=O)O)N)N	C8H18N4O2	202.1429758	N,N-Dimethylarginine	✔	123831	HMDB0001539	C03626	CHEBI:17929	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	Arginine and derivatives	Aliphatic acyclic compounds	Fatty Acids and Conjugates (FA01), Fatty Acyls (FA)	—	POLAR	WAX, WCX	NA_NA, WAX_1, WCX_2, WCX_3	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✘	2
56006	YDNKGFDKKRUKPY-ORIPQNMZSA-N	YDNKGFDKKRUKPY	CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O	C34H67NO3	537.512095	D-erythro-D4-Ceramide	✔	5353456	HMDB0000790	—	—	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Ceramides	Long-chain ceramides	Aliphatic acyclic compounds	N-acyl amines (FA0802), Ceramides (SP02), Fatty Acyls (FA), Fatty amides (FA08), Sphingolipids (SP)	—	APOLAR, POLAR	AMP, C18, WAX, WCX	AMP_1, C18_3, NA_NA, WAX_2, WCX_1	C30, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✘	2
56073	YIGARKIIFOHVPF-LAPDZXRHSA-N	YIGARKIIFOHVPF	CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(/C=C/CCCCCCCCCCCCC)O	C46H89NO8	783.6588188	—	✔	14795577	—	—	—	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	Glycosphingolipids	Aliphatic heteromonocyclic compounds	—	—	APOLAR	AMP	AMP_3	C30	LCMSMS	NEGATIVE	✔	✘	✔	✔	✔	—	✔	✘	2
56076	YIKKMWSQVKJCOP-ABXCMAEBSA-N	YIKKMWSQVKJCOP	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C	C27H44O2	400.3341306	0GV	✔	91474	—	—	CHEBI:64294	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	Cholesterols and derivatives	Aliphatic homopolycyclic compounds	Sterol Lipids (ST), Cholesterol and derivatives (ST0101)	—	APOLAR, POLAR	AMP, C18	AMP_1, C18_2, C18_3, NA_1, NA_NA	C30, PHE	DIMSn, LCMSMS	POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
56280	YWZGQPJRQXHVQX-BYCLXTJYSA-N	YWZGQPJRQXHVQX	CCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O)O	C34H67NO4	553.5070096	2-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexadecanamide	✔	10209553	—	—	—	Organic compounds	Lipids and lipid-like molecules	Sphingolipids	Ceramides	Long-chain ceramides	Aliphatic acyclic compounds	N-acyl amines (FA0802), Ceramides (SP02), Fatty Acyls (FA), Fatty amides (FA08), Sphingolipids (SP)	—	APOLAR, POLAR	AMP, WCX	AMP_1, NA_NA, WCX_1	C30, PHE	LCMSMS	NEGATIVE	✔	✘	✔	✔	✔	—	✔	✔	2
56321	YZXBAPSDXZZRGB-DOFZRALJSA-N	YZXBAPSDXZZRGB	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O	C20H32O2	304.2402303	Arachidonic acid	✔	444899	HMDB0060102, HMDB0001043	C00219	CHEBI:15843	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Long-chain fatty acids	Aliphatic acyclic compounds	Unsaturated fatty acids (FA0103), Straight chain fatty acids (FA0101), Fatty Acids and Conjugates (FA01), Fatty Acyls (FA)	—	APOLAR, POLAR	AMP, WAX, WCX	AMP_3, NA_NA, WAX_2, WAX_4, WCX_1, WCX_2	AMD, C30, PHE	DIMSn, LCMSMS	NEGATIVE	✔	✘	✔	✔	✔	—	✔	✘	2
56382	ZDXPYRJPNDTMRX-GSVOUGTGSA-N	ZDXPYRJPNDTMRX	C(CC(=O)N)[C@H](C(=O)[O-])[NH3+]	C5H10N2O3	146.0691422	D-Glutamine	✔	145815, 6992096	HMDB0003423	C00819	CHEBI:17061, CHEBI:58000	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	D-alpha-amino acids	Aliphatic acyclic compounds	Fatty Acids and Conjugates (FA01), Fatty Acyls (FA)	—	POLAR	WAX, WCX	NA_NA, WAX_1, WAX_2, WCX_1	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
56383	ZDXPYRJPNDTMRX-UHFFFAOYSA-N	ZDXPYRJPNDTMRX	C(CC(=O)N)C(C(=O)[O-])[NH3+]	C5H10N2O3	146.0691422	2-Aminoglutaramic acid	✔	738, 25244553	—	C00303	CHEBI:28300	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	Alpha amino acids	Aliphatic acyclic compounds	Fatty Acids and Conjugates (FA01), Fatty Acyls (FA)	—	POLAR	WAX, WCX	NA_NA, WAX_1, WAX_2, WCX_1	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
56384	ZDXPYRJPNDTMRX-VKHMYHEASA-N	ZDXPYRJPNDTMRX	C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+]	C5H10N2O3	146.0691422	(S)-2,5-Diamino-5-oxopentanoic acid	✔	5961, 6992086	HMDB0000641	C00064, D00015	CHEBI:58359, CHEBI:18050	Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	L-alpha-amino acids	Aliphatic acyclic compounds	Fatty Acids and Conjugates (FA01), Fatty Acyls (FA)	—	POLAR	CRUDE, WAX, WCX	CRUDE_0, NA_NA, WAX_1, WAX_2, WAX_3, WCX_1	AMD, PHE	DIMSn, GC-MS, LCMSMS, NMR	NEGATIVE, POSITIVE	✔	✔	✔	✔	✔	—	✔	✔	1, 2
56492	ZNJFBWYDHIGLCU-HWKXXFMVSA-N	ZNJFBWYDHIGLCU	CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O	C12H18O3	210.1255944	Jasmonic acid	✔	5281166	HMDB0032797	C08491	CHEBI:18292	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	Jasmonic acids	Aliphatic homomonocyclic compounds	Jasmonic acids (FA0202), Fatty Acyls (FA)	—	APOLAR, POLAR	C18, WCX	C18_2, C18_3, NA_NA, WCX_2	AMD, C30, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✘	✘	2
56499	ZOAMBXDOGPRZLP-UHFFFAOYSA-N	ZOAMBXDOGPRZLP	C1=CC=C2C(=C1)C(=CN2)CC(=O)N	C10H10N2O	174.0793129	TSC	✔	397	HMDB0029739	C02693	CHEBI:16031	Organic compounds	Organoheterocyclic compounds	Indoles and derivatives	Indoles	3-alkylindoles	Aromatic heteropolycyclic compounds	—	—	POLAR	WAX, WCX	NA_NA, WAX_1, WCX_1	AMD, PHE	DIMSn, LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✔	✔	2
56505	ZOOGRGPOEVQQDX-UUOKFMHZSA-N	ZOOGRGPOEVQQDX	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O	C10H12N5O7P	345.0474347	cyclic guanosine 3',5'-monophosphate	✔	135398570	HMDB0001314	C00942	CHEBI:16356	Organic compounds	Nucleosides, nucleotides, and analogues	Purine nucleotides	Cyclic purine nucleotides	3',5'-cyclic purine nucleotides	Aromatic heteropolycyclic compounds	—	—	POLAR	WAX, WCX	WAX_1, WAX_2, WAX_4, WCX_1	AMD, PHE	LCMSMS	NEGATIVE, POSITIVE	✔	✘	✔	✔	✔	—	✘	✔	2
56528	ZQPPMHVWECSIRJ-KTKRTIGZSA-N	ZQPPMHVWECSIRJ	CCCCCCCC/C=C\CCCCCCCC(=O)O	C18H34O2	282.2558803	Elaidic acid	✔	445639	HMDB0000207, HMDB0000573	C00712	CHEBI:16196	Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Long-chain fatty acids	Aliphatic acyclic compounds	Unsaturated fatty acids (FA0103), Straight chain fatty acids (FA0101), Fatty Acids and Conjugates (FA01), Fatty Acyls (FA)	—	APOLAR, POLAR	AMP, C18, WAX, WCX	AMP_1, AMP_2, AMP_3, AMP_4, C18_2, NA_NA, WAX_1, WAX_2, WAX_3, WAX_4, WCX_1, WCX_2, WCX_3, WCX_4	AMD, C30, PHE	DIMSn, LCMSMS	NEGATIVE	✔	✘	✔	✔	✔	—	✘	✘	2

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Summary