3-(4-hydroxyphenyl)pyruvic acid

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keemiline ühend

Välised allikad

Freebase	/m/02rcw7l^[1]
Reaxys registry number	2691632^[2]
PubChem CID	979^[3]^[4]
DSSTOX compound identifier	DTXCID9088508
UniChem compound ID	335245^[5]
PDB ligand ID	ENO
KEGG ID	C01179
NSC number	100738
ChEMBL ID	CHEMBL607712^[6]
InChIKey	KKADPXVIOXHVKN-UHFFFAOYSA-N^[3]^[7]
Cannabis Database ID	004859^[8]
DrugBank ID	DB07718^[4]
ChEBI ID	15999^[6]^[9]^[10] mapping relation type: täpne vaste
InChI	InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)^[3]
SureChEMBL ID	SCHEMBL24157^[11]^[4]
CAS Registry Number	156-39-8^[12]^[13]
SPLASH	splash10-004i-0900000000-2416d7f64101b9473cbb splash10-0a4i-2900000000-ad1f1fabdf6b1579fff7 splash10-0005-9400000000-708e258e692a0abfbc92 splash10-0002-9100000000-7d75e23ae6944c1e9c6d splash10-001m-9000000000-fb80dcbab23323a042af splash10-002f-1920000000-75b07d9c09371340939f splash10-00xr-9340000000-087aad2497b3493d27c0 splash10-001i-1900000000-76ae33b45e4348d50b07 splash10-0002-9000000000-e5837555ecff4ecf9652 splash10-0006-2920000000-469469dfaad745fa78e8 splash10-002o-2910000000-4f336335a2366e7dd6db splash10-0a59-5900000000-6c003e26816579df31ca splash10-002f-1941000000-2b4c87544657895fcaf6 splash10-0a4i-0900000000-12033042c41b550bed42 splash10-0a4i-0900000000-6e8a3701c6d254cc824d splash10-0560-1900000000-8082c68e259d24234d05 splash10-014i-3492100000-483bdcea11d60fe4d306 splash10-002o-5910000000-fd1e55c84c79bfeca559 splash10-014i-6791000000-ddc0a3b695cd1d0769f2
KNApSAcK ID	C00007512^[2]^[11]^[4] C00052716^[11]^[4]
ECHA Substance Infocard ID	100.005.322^[14]
UM-BBD compound ID	c0235
ChemSpider ID	954^[15]
EC number	205-852-9^[12]
Human Metabolome Database ID	HMDB0000707^[11]^[4]
MassBank accession ID	MSBNK-Osaka_Univ-OUF00066 MSBNK-RIKEN-PR010083 MSBNK-GL_Sciences_Inc-GLS00093 MSBNK-Keio_Univ-KO000973 MSBNK-Keio_Univ-KO000974 MSBNK-Keio_Univ-KO000975 MSBNK-Keio_Univ-KO000976 MSBNK-Keio_Univ-KO000977
DSSTox substance ID	DTXSID80166017^[16]^[4]
Microsoft Academic ID	2778242599
PDB structure ID	3UK0^[17] 3UKJ^[18] 3GGO^[19] 4JB0^[20] 4KIG^[21] 3TX6^[22] 3GAC^[23] 4EYQ^[24] 1CA7^[25] 3IJJ^[26]
Guide to Pharmacology Ligand ID	6629^[27]
Probes And Drugs ID	PD005526
UNII	0YP1694WNQ^[12]^[4]

üksikjuht nähtusest

type of chemical entity

mille alamklass

keemiline ühend

mass/kaal

180,042 aatommassiühik^[28]

chemical formula

C₉H₈O₄^[3]

canonical SMILES

C1=CC(=CC=C1CC(=O)C(=O)O)O^[3]

found in taxon

Aristolochia gigantea^[29]

Clematis parviloba^[30]

Delphinium pentagynum^[31]

Erythrina crista-galli^[32]

Soolekepike^[33]

Gnetum montanum^[34]

Romneya coulteri^[35]

Xylopia parviflora^[36]

Homo sapiens^[37]^[38]

Sidrunmeliss^[39]

harilik müürlook^[40]^[41]

subjektil on roll

primary metabolite^[42]

koosseisu osa

süsinik

hapnik

vesinik

Viited

↑ Freebase Data Dumps, 28. oktoober 2013
↑ ^2,0 ^2,1 ChEBI, 19. oktoober 2016, inglise keel, (4-hydroxyphenyl)pyruvic acid, 15999
↑ ^3,0 ^3,1 ^3,2 ^3,3 ^3,4 PubChem, 20. november 2016, inglise keel, 979, 4-Hydroxyphenylpyruvic acid
↑ ^4,0 ^4,1 ^4,2 ^4,3 ^4,4 ^4,5 ^4,6 ^4,7 KKADPXVIOXHVKN-UHFFFAOYSA-N, InChIKey
↑ UniChem
↑ ^6,0 ^6,1 ChEMBL, 20. november 2016, inglise keel, 4-HYDROXYPHENYLPYRUVIC ACID, CHEMBL607712
↑ ChEBI release 2020-09-01
↑ Cannabis Database
↑ ChEBI release 2019-10-02
↑ International Chemical Identifier, InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
↑ ^11,0 ^11,1 ^11,2 ^11,3 inferred from InChIKey
↑ ^12,0 ^12,1 ^12,2 Global Substance Registration System, 20. november 2016, inglise keel, 3-(4-hydroxyphenyl)pyruvic acid, 0YP1694WNQ
↑ CAS Common Chemistry, 10. aprill 2021, KKADPXVIOXHVKN-UHFFFAOYSA-N, https://commonchemistry.cas.org/detail?cas_rn=156-39-8
↑ ECHA Substance Infocard database, 27. detsember 2018, 100.005.322, 4-hydroxyphenylpyruvic acid, CAS no.: 156-39-8
↑ ChemSpider, 20. november 2016, inglise keel, 954, 4-Hydroxyphenylpyruvate
↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 3UK0, 3UK0
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 3UKJ, 3UKJ
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 3GGO, 3GGO
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 4JB0, 4JB0
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 4KIG, 4KIG
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 3TX6, 3TX6
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 3GAC, 3GAC
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 4EYQ, 4EYQ
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 1CA7, 1CA7
↑ Protein Data Bank, 19. oktoober 2016, inglise keel, 3IJJ, 3IJJ
↑ IUPHAR/BPS Guide to PHARMACOLOGY, 20. november 2016, inglise keel, 6629, 4-hydroxyphenylpyruvic acid
↑ PubChem, 19. oktoober 2016, inglise keel, 979, 4-Hydroxyphenylpyruvic acid
↑ Aristolactams and Alkamides of Aristolochia gigantea.
↑ Aporphine alkaloids from Clematis parviloba and their antifungal activity
↑ Alkaloids from Delphinium pentagynum
↑ Biosynthesis of Erythrina alkaloids in Erythrina crista-galli
↑ Regulator Gene Controlling Enzymes Concerned in Tyrosine Biosynthesis in Escherichia coli
↑ Alkaloids from the Chinese vine Gnetum montanum
↑ Coulteroberbinone, a quaternary isoquinoline alkaloid from Romneya coulteri
↑ Quaternary isoquinoline alkaloids from Xylopia parviflora
↑ Recon 2.2: from reconstruction to model of human metabolism
↑ A community-driven global reconstruction of human metabolism.
↑ Enzymes of phenylpropanoid metabolism in the important medicinal plant Melissa officinalis L.
↑ Biochemical properties and subcellular localization of tyrosine aminotransferases in Arabidopsis thaliana
↑ Catalytic, noncatalytic, and inhibitory phenomena: kinetic analysis of (4-hydroxyphenyl)pyruvate dioxygenase from Arabidopsis thaliana.
↑ Reactome, https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

[r972aa6d7-1] Freebase Data Dumps, 28. oktoober 2013

[r4ba89128-2] 2,0 ^2,1 ChEBI, 19. oktoober 2016, inglise keel, (4-hydroxyphenyl)pyruvic acid, 15999

[rfa7a3484-3] 3,0 ^3,1 ^3,2 ^3,3 ^3,4 PubChem, 20. november 2016, inglise keel, 979, 4-Hydroxyphenylpyruvic acid

[r78374595-4] 4,0 ^4,1 ^4,2 ^4,3 ^4,4 ^4,5 ^4,6 ^4,7 KKADPXVIOXHVKN-UHFFFAOYSA-N, InChIKey

[rb4997d09-5] UniChem

[r6a3db6f2-6] 6,0 ^6,1 ChEMBL, 20. november 2016, inglise keel, 4-HYDROXYPHENYLPYRUVIC ACID, CHEMBL607712

[rdb8780da-7] ChEBI release 2020-09-01

[r3f21ca14-8] Cannabis Database

[r9d0da0c8-9] ChEBI release 2019-10-02

[rd9aaf3e1-10] International Chemical Identifier, InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)

[r2758fec3-11] 11,0 ^11,1 ^11,2 ^11,3 inferred from InChIKey

[r281346d7-12] 12,0 ^12,1 ^12,2 Global Substance Registration System, 20. november 2016, inglise keel, 3-(4-hydroxyphenyl)pyruvic acid, 0YP1694WNQ

[r256f70ca-13] CAS Common Chemistry, 10. aprill 2021, KKADPXVIOXHVKN-UHFFFAOYSA-N, https://commonchemistry.cas.org/detail?cas_rn=156-39-8

[r5116b1ec-14] ECHA Substance Infocard database, 27. detsember 2018, 100.005.322, 4-hydroxyphenylpyruvic acid, CAS no.: 156-39-8

[r639a1c96-15] ChemSpider, 20. november 2016, inglise keel, 954, 4-Hydroxyphenylpyruvate

[r76075370-16] Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

[r0457111a-17] Protein Data Bank, 19. oktoober 2016, inglise keel, 3UK0, 3UK0

[r1b03219a-18] Protein Data Bank, 19. oktoober 2016, inglise keel, 3UKJ, 3UKJ

[r7ae6b56e-19] Protein Data Bank, 19. oktoober 2016, inglise keel, 3GGO, 3GGO

[rb242b7b1-20] Protein Data Bank, 19. oktoober 2016, inglise keel, 4JB0, 4JB0

[re7bab65d-21] Protein Data Bank, 19. oktoober 2016, inglise keel, 4KIG, 4KIG

[r33064f67-22] Protein Data Bank, 19. oktoober 2016, inglise keel, 3TX6, 3TX6

[r9de151ee-23] Protein Data Bank, 19. oktoober 2016, inglise keel, 3GAC, 3GAC

[r677459c3-24] Protein Data Bank, 19. oktoober 2016, inglise keel, 4EYQ, 4EYQ

[rcc0a545d-25] Protein Data Bank, 19. oktoober 2016, inglise keel, 1CA7, 1CA7

[ra7165ba5-26] Protein Data Bank, 19. oktoober 2016, inglise keel, 3IJJ, 3IJJ

[r7d5fc4af-27] IUPHAR/BPS Guide to PHARMACOLOGY, 20. november 2016, inglise keel, 6629, 4-hydroxyphenylpyruvic acid

[raf0efad1-28] PubChem, 19. oktoober 2016, inglise keel, 979, 4-Hydroxyphenylpyruvic acid

[rd13fde83-29] Aristolactams and Alkamides of Aristolochia gigantea.

[r449ccf1e-30] Aporphine alkaloids from Clematis parviloba and their antifungal activity

[rb2d21059-31] Alkaloids from Delphinium pentagynum

[r37f7d311-32] Biosynthesis of Erythrina alkaloids in Erythrina crista-galli

[rb3ee3f2a-33] Regulator Gene Controlling Enzymes Concerned in Tyrosine Biosynthesis in Escherichia coli

[r6637ea88-34] Alkaloids from the Chinese vine Gnetum montanum

[r2fa04d10-35] Coulteroberbinone, a quaternary isoquinoline alkaloid from Romneya coulteri

[rfedc73d1-36] Quaternary isoquinoline alkaloids from Xylopia parviflora

[rf40ac6a6-37] Recon 2.2: from reconstruction to model of human metabolism

[r3aca4564-38] A community-driven global reconstruction of human metabolism.

[ra854c061-39] Enzymes of phenylpropanoid metabolism in the important medicinal plant Melissa officinalis L.

[r4b958aaa-40] Biochemical properties and subcellular localization of tyrosine aminotransferases in Arabidopsis thaliana

[rb84bd88a-41] Catalytic, noncatalytic, and inhibitory phenomena: kinetic analysis of (4-hydroxyphenyl)pyruvate dioxygenase from Arabidopsis thaliana.

[r22b5557e-42] Reactome, https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

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