NCBI Taxonomy: 573

Klebsiella pneumoniae (ncbi_taxid: 573)

found 24 associated metabolites at species taxonomy rank level.

Ancestor: Klebsiella

Child Taxonomies: Klebsiella pneumoniae JH1, Klebsiella pneumoniae 342, Klebsiella pneumoniae JT4, Klebsiella pneumoniae 303K, Klebsiella pneumoniae JM45, Klebsiella pneumoniae IS10, Klebsiella pneumoniae PR04, Klebsiella pneumoniae G5-2, Klebsiella pneumoniae NB60, Klebsiella pneumoniae HE12, Klebsiella pneumoniae CG43, Klebsiella pneumoniae HSL4, Klebsiella pneumoniae KP-1, Klebsiella pneumoniae KP-7, Klebsiella pneumoniae IS22, Klebsiella pneumoniae IS33, Klebsiella pneumoniae IS43, Klebsiella pneumoniae IS46, Klebsiella pneumoniae IS53, Klebsiella pneumoniae IS39, Klebsiella pneumoniae 4006, Klebsiella pneumoniae 7699, Klebsiella pneumoniae KP5-R, Klebsiella pneumoniae KP4-R, Klebsiella pneumoniae KP1-I, Klebsiella pneumoniae KP2-R, Klebsiella pneumoniae ST514, Klebsiella pneumoniae HK787, Klebsiella pneumoniae JHCK1, Klebsiella pneumoniae VA360, Klebsiella pneumoniae ST272, Klebsiella pneumoniae hvKP1, Klebsiella pneumoniae Kb140, Klebsiella pneumoniae Kb677, Klebsiella pneumoniae KP-11, Klebsiella pneumoniae ISC21, Klebsiella pneumoniae KP3-S, Klebsiella pneumoniae BWH 2, Klebsiella pneumoniae T2-1-1, Klebsiella pneumoniae BWH 28, Klebsiella pneumoniae CHS 14, Klebsiella pneumoniae T2-1-2, Klebsiella pneumoniae BWH 30, Klebsiella pneumoniae CHS 15, Klebsiella pneumoniae BWH 36, Klebsiella pneumoniae CHS 16, Klebsiella pneumoniae BWH 41, Klebsiella pneumoniae NES 14, Klebsiella pneumoniae CHS 17, Klebsiella pneumoniae CHS 18, Klebsiella pneumoniae CHS 19, Klebsiella pneumoniae CHS 20, Klebsiella pneumoniae CHS 21, Klebsiella pneumoniae CHS 22, Klebsiella pneumoniae CHS 23, Klebsiella pneumoniae CHS 24, Klebsiella pneumoniae CHS 25, Klebsiella pneumoniae CHS 26, Klebsiella pneumoniae CHS 27, Klebsiella pneumoniae 909957, Klebsiella pneumoniae CHS 28, Klebsiella pneumoniae CHS 29, Klebsiella pneumoniae CHS 30, Klebsiella pneumoniae CHS 31, Klebsiella pneumoniae CHS 32, Klebsiella pneumoniae CHS 33, Klebsiella pneumoniae CHS 34, Klebsiella pneumoniae CHS 35, Klebsiella pneumoniae CHS 36, Klebsiella pneumoniae CHS 37, Klebsiella pneumoniae CHS 38, Klebsiella pneumoniae CHS 39, Klebsiella pneumoniae CHS 40, Klebsiella pneumoniae CHS 41, Klebsiella pneumoniae CHS 42, Klebsiella pneumoniae CHS 43, Klebsiella pneumoniae CHS 44, Klebsiella pneumoniae CHS 45, Klebsiella pneumoniae CHS 46, Klebsiella pneumoniae CHS 47, Klebsiella pneumoniae CHS 48, Klebsiella pneumoniae CHS 49, Klebsiella pneumoniae CHS 50, Klebsiella pneumoniae CHS 51, Klebsiella pneumoniae CHS 52, Klebsiella pneumoniae CHS 53, Klebsiella pneumoniae CHS 54, Klebsiella pneumoniae CHS 55, Klebsiella pneumoniae CHS 56, Klebsiella pneumoniae CHS 57, Klebsiella pneumoniae CHS 58, Klebsiella pneumoniae CHS 59, Klebsiella pneumoniae CHS 60, Klebsiella pneumoniae CHS 61, Klebsiella pneumoniae CHS 62, Klebsiella pneumoniae CHS 63, Klebsiella pneumoniae CHS 64, Klebsiella pneumoniae CHS 65, Klebsiella pneumoniae CHS 66, Klebsiella pneumoniae CHS 67, Klebsiella pneumoniae CHS 70, Klebsiella pneumoniae CHS 71, Klebsiella pneumoniae CHS 72, Klebsiella pneumoniae CHS 73, Klebsiella pneumoniae CHS 74, Klebsiella pneumoniae CHS 75, Klebsiella pneumoniae CHS 76, Klebsiella pneumoniae CHS 80, Klebsiella pneumoniae MGH 51, Klebsiella pneumoniae MGH 52, Klebsiella pneumoniae MGH 59, Klebsiella pneumoniae MGH 60, Klebsiella pneumoniae MGH 63, Klebsiella pneumoniae MGH 64, Klebsiella pneumoniae MGH 65, Klebsiella pneumoniae MGH 66, Klebsiella pneumoniae MGH 67, Klebsiella pneumoniae MGH 69, Klebsiella pneumoniae MGH 70, Klebsiella pneumoniae MGH 71, Klebsiella pneumoniae MGH 72, Klebsiella pneumoniae MGH 73, Klebsiella pneumoniae MGH 74, Klebsiella pneumoniae MGH 75, Klebsiella pneumoniae MGH 79, Klebsiella pneumoniae UCI 55, Klebsiella pneumoniae UCI 56, Klebsiella pneumoniae UCI 59, Klebsiella pneumoniae UCI 60, Klebsiella pneumoniae UCI 61, Klebsiella pneumoniae UCI 62, Klebsiella pneumoniae UCI 63, Klebsiella pneumoniae UCI 64, Klebsiella pneumoniae UCI 67, Klebsiella pneumoniae UCI 68, Klebsiella pneumoniae SB2390, Klebsiella pneumoniae SB3193, Klebsiella pneumoniae UCI 17, Klebsiella pneumoniae UCI 19, Klebsiella pneumoniae UCI 20, Klebsiella pneumoniae UCI 21, Klebsiella pneumoniae UCI 22, Klebsiella pneumoniae UCI 25, Klebsiella pneumoniae UCI 26, Klebsiella pneumoniae UCI 33, Klebsiella pneumoniae UCI 34, Klebsiella pneumoniae UCI 37, Klebsiella pneumoniae UCI 38, Klebsiella pneumoniae UCI 41, Klebsiella pneumoniae UCI 42, Klebsiella pneumoniae UCI 43, Klebsiella pneumoniae UCI 44, Klebsiella pneumoniae HCNHY1, Klebsiella pneumoniae FCF3SP, Klebsiella pneumoniae RYC492, Klebsiella pneumoniae MGH 17, Klebsiella pneumoniae MGH 18, Klebsiella pneumoniae MGH 19, Klebsiella pneumoniae 700603, Klebsiella pneumoniae MGH 21, Klebsiella pneumoniae MGH 29, Klebsiella pneumoniae BWH 45, Klebsiella pneumoniae MGH 30, Klebsiella pneumoniae BWH 46, Klebsiella pneumoniae MGH 31, Klebsiella pneumoniae BWH 47, Klebsiella pneumoniae MGH 32, Klebsiella pneumoniae BWH 48, Klebsiella pneumoniae 4541-2, Klebsiella pneumoniae MGH 35, Klebsiella pneumoniae CHS 01, Klebsiella pneumoniae MGH 36, Klebsiella pneumoniae CHS 02, Klebsiella pneumoniae MGH 39, Klebsiella pneumoniae CHS 03, Klebsiella pneumoniae CHS 04, Klebsiella pneumoniae MGH 43, Klebsiella pneumoniae CHS 05, Klebsiella pneumoniae CHS 06, Klebsiella pneumoniae MGH 45, Klebsiella pneumoniae CHS 07, Klebsiella pneumoniae MGH 46, Klebsiella pneumoniae CHS 08, Klebsiella pneumoniae MGH 47, Klebsiella pneumoniae CHS 09, Klebsiella pneumoniae MGH 48, Klebsiella pneumoniae CHS 10, Klebsiella pneumoniae CHS 11, Klebsiella pneumoniae BWH 15, Klebsiella pneumoniae CHS 12, Klebsiella pneumoniae BWH 22, Klebsiella pneumoniae CHS 13, Klebsiella pneumoniae ADL-122, Klebsiella pneumoniae ADL-201, Klebsiella pneumoniae BIDMC 1, Klebsiella pneumoniae ADL-202, Klebsiella pneumoniae ADL-317, Klebsiella pneumoniae BIDMC 4, Klebsiella pneumoniae ADL-322, Klebsiella pneumoniae BIDMC 5, Klebsiella pneumoniae 1162281, Klebsiella pneumoniae LAU-KP1, Klebsiella pneumoniae UHKPC40, Klebsiella pneumoniae UHKPC23, Klebsiella pneumoniae UHKPC28, Klebsiella pneumoniae UHKPC05, Klebsiella pneumoniae UHKPC47, Klebsiella pneumoniae UHKPC67, Klebsiella pneumoniae UHKPC69, Klebsiella pneumoniae UHKPC77, Klebsiella pneumoniae UHKPC96, Klebsiella pneumoniae DMC0526, Klebsiella pneumoniae DMC0799, Klebsiella pneumoniae DMC1097, Klebsiella pneumoniae DMC1316, Klebsiella pneumoniae UHKPC61, Klebsiella pneumoniae UHKPC48, Klebsiella pneumoniae UHKPC33, Klebsiella pneumoniae UHKPC59, Klebsiella pneumoniae UHKPC07, Klebsiella pneumoniae UHKPC17, Klebsiella pneumoniae UHKPC18, Klebsiella pneumoniae UHKPC31, Klebsiella pneumoniae UHKPC06, Klebsiella pneumoniae UHKPC02, Klebsiella pneumoniae UHKPC09, Klebsiella pneumoniae UHKPC01, Klebsiella pneumoniae UHKPC81, Klebsiella pneumoniae UHKPC27, Klebsiella pneumoniae UHKPC24, Klebsiella pneumoniae UHKPC26, Klebsiella pneumoniae UHKPC57, Klebsiella pneumoniae UHKPC45, Klebsiella pneumoniae UHKPC22, Klebsiella pneumoniae UHKPC29, Klebsiella pneumoniae FCF1305, Klebsiella pneumoniae UHKPC32, Klebsiella pneumoniae UHKPC04, Klebsiella pneumoniae 11227-1, Klebsiella pneumoniae UCICRE 1, Klebsiella pneumoniae UCICRE 2, Klebsiella pneumoniae UCICRE 4, Klebsiella pneumoniae UCICRE 6, Klebsiella pneumoniae UCICRE 7, Klebsiella pneumoniae UCICRE 8, Klebsiella pneumoniae BIDMC 2A, Klebsiella pneumoniae BIDMC 7A, Klebsiella pneumoniae BIDMC 7B, Klebsiella pneumoniae BIDMC 10, Klebsiella pneumoniae BIDMC 11, Klebsiella pneumoniae BIDMC 13, Klebsiella pneumoniae BIDMC 14, Klebsiella pneumoniae BIDMC 16, Klebsiella pneumoniae BIDMC 21, Klebsiella pneumoniae BIDMC 22, Klebsiella pneumoniae BIDMC 23, Klebsiella pneumoniae BIDMC 24, Klebsiella pneumoniae BIDMC 25, Klebsiella pneumoniae BIDMC 32, Klebsiella pneumoniae BIDMC 34, Klebsiella pneumoniae BIDMC 35, Klebsiella pneumoniae BIDMC 36, Klebsiella pneumoniae BIDMC 40, Klebsiella pneumoniae BIDMC 41, Klebsiella pneumoniae 140_1040, Klebsiella pneumoniae 160_1080, Klebsiella pneumoniae 120_1020, Klebsiella pneumoniae 280_1220, Klebsiella pneumoniae 361_1301, Klebsiella pneumoniae 440_1540, Klebsiella pneumoniae 500_1420, Klebsiella pneumoniae 540_1460, Klebsiella pneumoniae 646_1568, Klebsiella pneumoniae BIDMC 45, Klebsiella pneumoniae BIDMC 47, Klebsiella pneumoniae BIDMC 48, Klebsiella pneumoniae BIDMC 51, Klebsiella pneumoniae BIDMC 52, Klebsiella pneumoniae BIDMC 53, Klebsiella pneumoniae cifa_HP1, Klebsiella pneumoniae UHKPC 52, Klebsiella pneumoniae BIDMC 31, Klebsiella pneumoniae UHKPC179, Klebsiella pneumoniae VAKPC252, Klebsiella pneumoniae VAKPC254, Klebsiella pneumoniae VAKPC269, Klebsiella pneumoniae VAKPC278, Klebsiella pneumoniae VAKPC280, Klebsiella pneumoniae VAKPC270, Klebsiella pneumoniae VAKPC276, Klebsiella pneumoniae VAKPC297, Klebsiella pneumoniae VAKPC309, Klebsiella pneumoniae BIDMC 54, Klebsiella pneumoniae BIDMC 55, Klebsiella pneumoniae BIDMC 60, Klebsiella pneumoniae BIDMC 68, Klebsiella pneumoniae BIDMC 69, Klebsiella pneumoniae KP_H5500, Klebsiella pneumoniae MGH 78578, Klebsiella pneumoniae UCICRE 13, Klebsiella pneumoniae BIDMC 12A, Klebsiella pneumoniae BIDMC 12B, Klebsiella pneumoniae BIDMC 12C, Klebsiella pneumoniae BIDMC 18A, Klebsiella pneumoniae BIDMC 18B, Klebsiella pneumoniae BIDMC 18C, Klebsiella pneumoniae BIDMC 18D, Klebsiella pneumoniae BIDMC 42a, Klebsiella pneumoniae BIDMC 42b, Klebsiella pneumoniae BIDMC 46a, Klebsiella pneumoniae BIDMC 46b, Klebsiella pneumoniae MRSN 1319, Klebsiella pneumoniae MRSN 2404, Klebsiella pneumoniae MRSN 3562, Klebsiella pneumoniae MRSN 3852, Klebsiella pneumoniae MRSN 6902, Klebsiella pneumoniae BIDMC 33B, Klebsiella pneumoniae U-0608239, Klebsiella pneumoniae KCTC 2242, Klebsiella pneumoniae LCT-KP182, Klebsiella pneumoniae LCT-KP289, Klebsiella pneumoniae KPM_nasey, Klebsiella pneumoniae subsp. ozaenae, Klebsiella pneumoniae 1191100241, Klebsiella pneumoniae ATCC 25955, Klebsiella pneumoniae ATCC 43816, Klebsiella pneumoniae EGD-HP19-C, Klebsiella pneumoniae CGMCC 1.1736, Klebsiella pneumoniae KPM_naseyCln3, Klebsiella pneumoniae ATCC BAA-1705, Klebsiella pneumoniae ATCC BAA-2146, Klebsiella pneumoniae 30660/NJST258_1, Klebsiella pneumoniae 30684/NJST258_2, Klebsiella pneumoniae subsp. pneumoniae, Klebsiella pneumoniae subsp. rhinoscleromatis

3-Hydroxyanthranilic acid

2-Amino-3-hydroxy-benzoic acid

C7H7NO3 (153.0426)


3-Hydroxyanthranilic acid, also known as 2-amino-3-hydroxy-benzoate or 3-ohaa, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 3-Hydroxyanthranilic acid is a drug. 3-Hydroxyanthranilic acid exists in all living species, ranging from bacteria to humans. Within humans, 3-hydroxyanthranilic acid participates in a number of enzymatic reactions. In particular, 3-hydroxyanthranilic acid and L-alanine can be biosynthesized from L-3-hydroxykynurenine through the action of the enzyme kynureninase. In addition, 3-hydroxyanthranilic acid can be converted into cinnavalininate through the action of the enzyme catalase. 3-Hydroxyanthranilic acid is an intermediate in the metabolism of tryptophan. In humans, 3-hydroxyanthranilic acid is involved in tryptophan metabolism. Outside of the human body, 3-hydroxyanthranilic acid has been detected, but not quantified in brassicas. This could make 3-hydroxyanthranilic acid a potential biomarker for the consumption of these foods. It is new antioxidant isolated from methanol extract of tempeh. It is effective in preventing autoxidation of soybean oil and powder, while antioxidant 6,7,4-trihydroxyisoflavone is not. D000975 - Antioxidants > D016166 - Free Radical Scavengers [Raw Data] CBA14_3-OH-anthranili_pos_30eV_1-6_01_808.txt [Raw Data] CBA14_3-OH-anthranili_neg_40eV_1-6_01_832.txt [Raw Data] CBA14_3-OH-anthranili_pos_40eV_1-6_01_809.txt [Raw Data] CBA14_3-OH-anthranili_neg_20eV_1-6_01_830.txt [Raw Data] CBA14_3-OH-anthranili_neg_10eV_1-6_01_829.txt [Raw Data] CBA14_3-OH-anthranili_pos_10eV_1-6_01_806.txt [Raw Data] CBA14_3-OH-anthranili_pos_20eV_1-6_01_807.txt [Raw Data] CBA14_3-OH-anthranili_neg_30eV_1-6_01_831.txt D020011 - Protective Agents > D000975 - Antioxidants Isolated from Brassica oleracea (cauliflower) 3-Hydroxyanthranilic acid is a tryptophan metabolite in the kynurenine pathway.

   

Diethanolamine

Bis(2-hydroxyethyl)tallow amine oxide

C4H11NO2 (105.079)


Diethanolamine, often abbreviated as DEA, is an organic chemical compound which is both a secondary amine and a dialcohol. A dialcohol has two hydroxyl groups in its molecule. Like other amines, diethanolamine acts as a weak base. Diethanolamine is widely used in the preparation of diethanolamides and diethanolamine salts of long-chain fatty acids that are formulated into soaps and surfactants used in liquid laundry and dishwashing detergents, cosmetics, shampoos, and hair conditioners. Diethanolamine is also used in textile processing, in industrial gas purification to remove acid gases, as an anticorrosion agent in metalworking fluids, and in preparations of agricultural chemicals. Aqueous diethanolamine solutions are used as solvents for numerous drugs that are administered intravenously. [HMDB] Diethanolamine, often abbreviated as DEA, is an organic chemical compound which is both a secondary amine and a dialcohol. A dialcohol has two hydroxyl groups in its molecule. Like other amines, diethanolamine acts as a weak base. Diethanolamine is widely used in the preparation of diethanolamides and diethanolamine salts of long-chain fatty acids that are formulated into soaps and surfactants used in liquid laundry and dishwashing detergents, cosmetics, shampoos, and hair conditioners. Diethanolamine is also used in textile processing, in industrial gas purification to remove acid gases, as an anticorrosion agent in metalworking fluids, and in preparations of agricultural chemicals. Aqueous diethanolamine solutions are used as solvents for numerous drugs that are administered intravenously.

   

4-Hydroxysphinganine

[2S-(2R*,3R*,4S*)]-2-amino-1,3,4-octadecanetriol

C18H39NO3 (317.293)


Phytosphingosine is a phospholipid. Phospholipids are a class of lipids and a major component of all biological membranes; sphingolipid metabolites, such as sphingosine and ceramide, are highly bioactive compounds and are involved in diverse cell processes, including cell-cell interaction, cell proliferation, differentiation, and apoptosis. Phytosphingosine is also one of the most widely distributed natural sphingoid bases, which is abundant in fungi and plants, and also found in animals including humans. Phytosphingosine is structurally similar to sphingosine; phytosphingosine possesses a hydroxyl group at C-4 of the sphingoid long-chain base. The physiological roles of phytosphingosine are largely unknown. Phytosphingosine induces apoptosis in human T-cell lymphoma and non-small cell lung cancer cells, and induces caspase-independent cytochrome c release from mitochondria. In the presence of caspase inhibitors, phytosphingosine-induced apoptosis is almost completely suppressed, suggesting that phytosphingosine-induced apoptosis is largely dependent on caspase activities. (PMID: 12576463, 12531554, 8046331, 8048941,8706124) [HMDB] Phytosphingosine is a phospholipid. Phospholipids are a class of lipids and a major component of all biological membranes; sphingolipid metabolites, such as sphingosine and ceramide, are highly bioactive compounds and are involved in diverse cell processes, including cell-cell interaction, cell proliferation, differentiation, and apoptosis. Phytosphingosine is also one of the most widely distributed natural sphingoid bases, which is abundant in fungi and plants, and also found in animals including humans. Phytosphingosine is structurally similar to sphingosine; phytosphingosine possesses a hydroxyl group at C-4 of the sphingoid long-chain base. The physiological roles of phytosphingosine are largely unknown. Phytosphingosine induces apoptosis in human T-cell lymphoma and non-small cell lung cancer cells, and induces caspase-independent cytochrome c release from mitochondria. In the presence of caspase inhibitors, phytosphingosine-induced apoptosis is almost completely suppressed, suggesting that phytosphingosine-induced apoptosis is largely dependent on caspase activities. (PMID: 12576463, 12531554, 8046331, 8048941,8706124). Phytosphingosine is a?phospholipid and has anti-cancer activities. Phytosphingosine induces cell apoptosis via caspase 8 activation and Bax translocation in cancer cells[1].

   

isochorismate

(5S,6S)-5-[(1-carboxyeth-1-en-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid

C10H10O6 (226.0477)


Isochorismate, also known as isochorismic acid, belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Isochorismate is soluble (in water) and a weakly acidic compound (based on its pKa). Isochorismate can be found in a number of food items such as cucurbita (gourd), cherry tomato, chinese chestnut, and chinese water chestnut, which makes isochorismate a potential biomarker for the consumption of these food products. Isochorismate may be a unique E.coli metabolite.

   

Aerobactin

(2S)-2-[3-carboxy-3-({[(1S)-1-carboxy-5-(N-hydroxyacetamido)pentyl]carbamoyl}methyl)-3-hydroxypropanamido]-6-(N-hydroxyacetamido)hexanoic acid

C22H36N4O13 (564.2279)


Aerobactin is a virulence factor for enteric bacteria found occasionally in humans, and is produced by bacteria such as Enterobacter cloacae. E. cloacae is part of the normal intestinal floras of many individuals and not a primary human pathogen but has been considered to be an important cause of nosocomial infections. Aerobactin secretion in vivo could be an important step in the stages of the infection cycle during which intestine-populating opportunistic bacteria effectively colonize the gut, penetrate the mucous layer covering the intestinal villi, translocate out of intestinal lumen through the epithelial cells, and finally spread to organs within which they may survive. (PMID: 9453621, 8752377) [HMDB] Aerobactin is a virulence factor for enteric bacteria found occasionally in humans, and is produced by bacteria such as Enterobacter cloacae. E. cloacae is part of the normal intestinal floras of many individuals and not a primary human pathogen but has been considered to be an important cause of nosocomial infections. Aerobactin secretion in vivo could be an important step in the stages of the infection cycle during which intestine-populating opportunistic bacteria effectively colonize the gut, penetrate the mucous layer covering the intestinal villi, translocate out of intestinal lumen through the epithelial cells, and finally spread to organs within which they may survive. (PMID: 9453621, 8752377). D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents

   

6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate

6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid

C14H14N2O8 (338.075)


   

Diacetone alcohol

4-Hydroxy-2-keto-4-methylpentane

C6H12O2 (116.0837)


Diacetone alcohol is found in fruits. Diacetone alcohol is isolated from the arctic bramble Rubus arcticu Isolated from the arctic bramble Rubus arcticus. Diacetone alcohol is found in papaya and fruits.

   

Tilivalline

Tilivalline

C20H19N3O2 (333.1477)


A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted by an oxo group at position 5, by a hydroxy group at position 9, and by a 1H-indol-3-yl group at position 11S. It is a natural product discovered in Klebsiella oxytoca which is the causative toxin in antibiotic associated hemorrhagic colitis. It exhibits a microtubule-stabilizing activity that leads to mitotic arrest in the host cells.

   

5-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one

5-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one

C11H10N2O2 (202.0742)


   

2,2'-Dihydroxydiethylamine

2-(2-hydroxyethylamino)ethanol

C4H11NO2 (105.079)


A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ZBCBWPMODOFKDW-UHFFFAOYSA-N_STSL_0222_Diethanolamine_0002fmol_190114_S2_LC02MS02_004; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Diethanolamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=111-42-2 (retrieved 2024-11-05) (CAS RN: 111-42-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

3-Hydroxyanthranilic acid

2-amino-3-hydroxybenzoic acid

C7H7NO3 (153.0426)


An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan. D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; WJXSWCUQABXPFS-UHFFFAOYSA-N_STSL_0003_3-hydroxyanthranillic acid_8000fmol_180416_S2_LC02_MS02_37; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. 3-Hydroxyanthranilic acid is a tryptophan metabolite in the kynurenine pathway.

   

Phytosphingosine

4-hydroxysphinganine (SaccharoMyces Cerevisiae)

C18H39NO3 (317.293)


Phytosphingosine is a?phospholipid and has anti-cancer activities. Phytosphingosine induces cell apoptosis via caspase 8 activation and Bax translocation in cancer cells[1].

   

Pyraton

Diacetone alcohol [UN1148] [Flammable liquid]

C6H12O2 (116.0837)


   

Tyranton

Diacetone alcohol [UN1148] [Flammable liquid]

C6H12O2 (116.0837)


   

Isochorismic acid

Isochorismic acid

C10H10O6 (226.0477)


   

Diacetone alcohol

4-Hydroxy-4-methyl-2-pentanone

C6H12O2 (116.0837)


A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.

   

{[2-({2-[(2-{[2-({2-[(2-{[(1-{2-[(2-{[2-({[20-(carboxymethyl)-1,4,7,12,15,18,21-heptahydroxy-17-(hydroxymethyl)-24-oxo-3,6-bis(sec-butyl)-3h,6h,9h,10h,11h,14h,17h,20h,23h,26h,27h,28h,28ah-pyrrolo[2,1-i]1,4,7,10,13,16,19,22-octaazacyclohexacosan-9-yl](hydroxy)methylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene)amino]-1-hydroxy-3-(3h-imidazol-4-yl)propylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetic acid

{[2-({2-[(2-{[2-({2-[(2-{[(1-{2-[(2-{[2-({[20-(carboxymethyl)-1,4,7,12,15,18,21-heptahydroxy-17-(hydroxymethyl)-24-oxo-3,6-bis(sec-butyl)-3h,6h,9h,10h,11h,14h,17h,20h,23h,26h,27h,28h,28ah-pyrrolo[2,1-i]1,4,7,10,13,16,19,22-octaazacyclohexacosan-9-yl](hydroxy)methylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene)amino]-1-hydroxy-3-(3h-imidazol-4-yl)propylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetic acid

C93H129N23O27S (2031.9149)


   

11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one

11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one

C20H19N3O2 (333.1477)


   

(7s,8s)-11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one

(7s,8s)-11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one

C20H19N3O2 (333.1477)


   

6-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

6-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C36H60O32 (1004.3068)


   

{[(2s)-2-({2-[(2-{[(2s,3r)-2-[({2-[(1s)-1-{[(2s)-2-{[(2s)-2-{[(2s)-2-[({2-[(1s)-1-{[(2s)-1,3-dihydroxy-2-{[hydroxy({2-[(1s)-2-hydroxy-1-{[(2s)-1-hydroxy-2-{[hydroxy({2-[(1s)-1-[(1-hydroxy-2-{[hydroxy({1-[(2s)-3-hydroxy-2-{[(3s,6s)-5-hydroxy-3-[2-(c-hydroxycarbonimidoyl)ethyl]-6-(hydroxymethyl)-3,6-dihydropyrazin-2-yl]amino}propanoyl]pyrrolidin-2-yl})methylidene]amino}ethylidene)amino]-2-(c-hydroxycarbonimidoyl)ethyl]-1,3-thiazol-4-yl})methylidene]amino}propylidene]amino}ethyl]-1,3-thiazol-4-yl})methylidene]amino}propylidene]amino}-2-(c-hydroxycarbonimidoyl)ethyl]-1,3-oxazol-4-yl}(hydroxy)methylidene)amino]-1-hydroxypropylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxypropylidene]amino}-2-(c-hydroxycarbonimidoyl)ethyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-1,3-dihydroxybutylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-4-methylpentylidene]amino}acetic acid

{[(2s)-2-({2-[(2-{[(2s,3r)-2-[({2-[(1s)-1-{[(2s)-2-{[(2s)-2-{[(2s)-2-[({2-[(1s)-1-{[(2s)-1,3-dihydroxy-2-{[hydroxy({2-[(1s)-2-hydroxy-1-{[(2s)-1-hydroxy-2-{[hydroxy({2-[(1s)-1-[(1-hydroxy-2-{[hydroxy({1-[(2s)-3-hydroxy-2-{[(3s,6s)-5-hydroxy-3-[2-(c-hydroxycarbonimidoyl)ethyl]-6-(hydroxymethyl)-3,6-dihydropyrazin-2-yl]amino}propanoyl]pyrrolidin-2-yl})methylidene]amino}ethylidene)amino]-2-(c-hydroxycarbonimidoyl)ethyl]-1,3-thiazol-4-yl})methylidene]amino}propylidene]amino}ethyl]-1,3-thiazol-4-yl})methylidene]amino}propylidene]amino}-2-(c-hydroxycarbonimidoyl)ethyl]-1,3-oxazol-4-yl}(hydroxy)methylidene)amino]-1-hydroxypropylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxypropylidene]amino}-2-(c-hydroxycarbonimidoyl)ethyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-1,3-dihydroxybutylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-4-methylpentylidene]amino}acetic acid

C76H107N27O30S3 (1973.6839)


   

5-hydroxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one

5-hydroxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one

C11H10N2O2 (202.0742)


   

4-(acetyloxy)-3-{[2-carboxy-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}-6-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}oxane-2-carboxylic acid

4-(acetyloxy)-3-{[2-carboxy-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}-6-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}oxane-2-carboxylic acid

C37H60O30 (984.3169)


   

(2s,3s,4s,5r,6s)-4-(acetyloxy)-3-{[(2s,4s,5r,6r)-2-carboxy-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(2r,3s,4r,5r,6r)-2-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-4-(acetyloxy)-3-{[(2s,4s,5r,6r)-2-carboxy-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(2r,3s,4r,5r,6r)-2-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}oxane-2-carboxylic acid

C37H60O30 (984.3169)