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ZINC 12

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Quick Search ZINC ID or SMILES

Synonyms (48)
Vendors (10)
Annotations (18)
Representations (0)
Notes (7)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (2)

ZINC12501438

12501438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
May 16^th, 2008	26	No

Popular Name: Cocarboxylase Cocarboxylase

Find On: PubMed — Wikipedia — Google

CAS Numbers: 154-87-0 , 23883-45-6 , [136-09-4] , [154-87-0]

Other Names:

154-87-0; Cocarboxylase (JAN/INN); Coenzymate (TN); D01225; Thiamine pyrophosphate

154-87-0; TDP; THIAMINE-PYROPHOSPHATE; TPP; ThPP; Thaimine pyrophosphate; thiamin diphosphate; thiamin pyrophosphate; thiamin-PPi; thiamine diphosphate; thiamine pyrophosphate; thiamine-PPi

2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]Ethyl dihydrogen diphosphate

23883-45-6; Bivitasi (TN); Cocarboxylase hydrochloride; D07739

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium chloride, monohydrochloride; Cocarboxylase hydrochloride; Cocarboxylase monohydrochloride; LS-150415; Thiamine diphosphate hydro

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride; Coenzymate; Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide; th

C00068; TPP; ThPP; Thiamin diphosphate; Thiamin pyrophosphate; Thiamine diphosphate

Co-Carboxylase (BAN

cocarboxilasa; cocarboxylase; cocarboxylasum

Cocarboxylase (DCF

cocarboxylase; Thaimine pyrophosphate; thiamin diphosphate; thiamin pyrophosphate; thiamin-PPi; thiamine diphosphate; Thiamine pyrophosphate; Thiamine pyrophosphic acid; thiamine-PPi; thiamine-pyrophosphate; ThPP; TPP; tpp, thpp

Ibipinabant (USAN/INN)

MI); Co-Carboxylase (BAN)

Thaimine pyrophosphate; thiamin diphosphate; thiamin pyrophosphate; thiamin-PPi; thiamine diphosphate; Thiamine pyrophosphate; Thiamine pyrophosphic acid; thiamine-PPi; thiamine-pyrophosphate; ThPP; TPP

thiamine diphosphate; thiamine diphosphate dianion; thiamine diphosphate(2-)

Thiamine pyrophosphate

Thiamine pyrophosphate chloride

thiamine(1+) diphosphate

thiamine(1+) diphosphate chloride

thiamine(1+) diphosphate(1-)

thiamine(1+) diphosphate(3-)

TPP; ThPP; Thiamin diphosphate; Thiamin pyrophosphate; Thiamine diphosphate

SMILES:

Annotations

Vendors

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL

Vendor Notes

Note Type	Comments	Provided By
UniProt Database Links	ACOA_BACSU; ACOA_CUPNH; ACOB_BACSU; ACOB_CUPNH; APBE_BUCAP; APBE_BUCBP; APBE_CHLMU; APBE_CHLPN; APBE_CHLTR; APBE_ECO57; APBE_ECOLI; APBE_HAEIN; APBE_SALTY; APBE_TREPA; CAYP1_CANFA; CHDH_AZOSP; COMDE_METAC; COME_METJA; COME_METTH; DAS_CANBO; DAS_PICAN; DCI	ChEBI
UniProt Database Links	ACOA_BACSU; ACOB_BACSU; ACOB_CUPNH; APBE_BUCAP; APBE_BUCBP; APBE_CHLMU; APBE_CHLPN; APBE_CHLTR; APBE_ECO57; APBE_ECOLI; APBE_HAEIN; APBE_SALTY; APBE_TREPA; CAYP1_CANFA; CHDH_AZOSP; COMDE_METAC; COME_METJA; COME_METTH; DCIP_AZOBR; DCIP_ENTCL; GCL_ECO57; GC	ChEBI
UniProt Database Links	APBE_BUCAP; APBE_BUCBP; APBE_CHLMU; APBE_CHLPN; APBE_CHLTR; APBE_ECO57; APBE_ECOLI; APBE_HAEIN; APBE_SALTY; APBE_TREPA; COMDE_METAC; COMD_METJA; COMD_METTH; COME_METJA; DAS_CANBO; DAS_PICAN; DCIP_AZOBR; DCIP_ENTCL; DHTK1_CAEEL; DHTK1_DANRE; DHTK1_DICDI; D	ChEBI
PUBCHEM_PATENT_ID	EP1007099A1; EP1010755A1; US5922704; US6149924; WO1999002192A1; WO2000004870A2	IBM Patent Data
Reactome Database Links	REACT_11233; REACT_1450; REACT_1629; REACT_1730; REACT_1811; REACT_25070; REACT_25137	ChEBI
Reactome Database Links	REACT_12462; REACT_12543; REACT_17035; REACT_1813; REACT_1865; REACT_66; REACT_983	ChEBI
Patent Database Links	US2006148042; US2007212759; WO2007105203	ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description	Species
Alpha-oxidation of phytanate	Bos taurus Caenorhabditis elegans Sus scrofa Mus musculus Taeniopygia guttata Rattus norvegicus Gallus gallus Canis familiaris Arabidopsis thaliana Saccharomyces cerevisiae Oryza sativa Xenopus tropicalis Schizosaccharomyces pombe Homo sapiens Drosophila melanogaster Danio rerio Dictyostelium discoideum
Branched-chain amino acid catabolism	Danio rerio Canis familiaris Bos taurus Mus musculus Gallus gallus Arabidopsis thaliana Xenopus tropicalis Caenorhabditis elegans Plasmodium falciparum Dictyostelium discoideum Homo sapiens Sus scrofa Drosophila melanogaster Taeniopygia guttata Oryza sativa Rattus norvegicus
Citric acid cycle (TCA cycle)	Taeniopygia guttata Oryza sativa Saccharomyces cerevisiae Xenopus tropicalis Danio rerio Canis familiaris Homo sapiens Drosophila melanogaster Rattus norvegicus Plasmodium falciparum Caenorhabditis elegans Arabidopsis thaliana Dictyostelium discoideum Sus scrofa Schizosaccharomyces pombe Mus musculus Gallus gallus Bos taurus
Insulin effects increased synthesis of Xylulose-5-Phosphate	Mus musculus Canis familiaris Homo sapiens Oryza sativa Caenorhabditis elegans Dictyostelium discoideum Gallus gallus Rattus norvegicus Bos taurus Drosophila melanogaster Saccharomyces cerevisiae Plasmodium falciparum Danio rerio Xenopus tropicalis Taeniopygia guttata Schizosaccharomyces pombe Arabidopsis thaliana Sus scrofa
Lysine catabolism	Rattus norvegicus Schizosaccharomyces pombe Gallus gallus Dictyostelium discoideum Sus scrofa Taeniopygia guttata Bos taurus Drosophila melanogaster Xenopus tropicalis Plasmodium falciparum Danio rerio Homo sapiens Saccharomyces cerevisiae Oryza sativa Mus musculus Canis familiaris Arabidopsis thaliana Caenorhabditis elegans
Pentose phosphate pathway (hexose monophosphate shunt)	Homo sapiens Mus musculus Saccharomyces cerevisiae Drosophila melanogaster Schizosaccharomyces pombe Plasmodium falciparum Oryza sativa Arabidopsis thaliana Caenorhabditis elegans Canis familiaris Dictyostelium discoideum Rattus norvegicus Gallus gallus Taeniopygia guttata Danio rerio Bos taurus Xenopus tropicalis Sus scrofa
Pyruvate metabolism	Oryza sativa Dictyostelium discoideum Rattus norvegicus Drosophila melanogaster Homo sapiens Schizosaccharomyces pombe Gallus gallus Arabidopsis thaliana Taeniopygia guttata Danio rerio Bos taurus Plasmodium falciparum Sus scrofa Xenopus tropicalis Caenorhabditis elegans Mus musculus Saccharomyces cerevisiae Canis familiaris
Regulation of pyruvate dehydrogenase (PDH) complex	Taeniopygia guttata Sus scrofa Xenopus tropicalis Mus musculus Oryza sativa Danio rerio Gallus gallus Arabidopsis thaliana Canis familiaris Drosophila melanogaster Saccharomyces cerevisiae Bos taurus Homo sapiens Schizosaccharomyces pombe Caenorhabditis elegans Rattus norvegicus
Vitamin B1 (thiamin) metabolism	Canis familiaris Drosophila melanogaster Gallus gallus Taeniopygia guttata Sus scrofa Saccharomyces cerevisiae Dictyostelium discoideum Mus musculus Danio rerio Arabidopsis thaliana Rattus norvegicus Oryza sativa Xenopus tropicalis Homo sapiens Plasmodium falciparum Bos taurus Caenorhabditis elegans

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (48)
Vendors (10)
Annotations (18)
Representations (0)
Notes (7)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (2)