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Quick Search ZINC ID or SMILES

Synonyms (34)
Vendors (11)
Annotations (27)
Representations (3)
Notes (8)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (2)

ZINC08215517

8215517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
July 4^th, 2006	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

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

Thaimine pyrophosphate;Thiamin diphosphate;Thiamin pyrophosphate;Thiamin-PPi;Thiamine diphosphate;Thiamine pyrophosphate;Thiamine-PPi;Thiamine-pyrophosphate;ThPP;TPP

Thiamin Diphosphate

thiamine diphosphate

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

Thiamine pyrophosphate

Thiamine pyrophosphate chloride

thiamine(1+) diphosphate

thiamine(1+) diphosphate chloride

thiamine(1+) diphosphate(3-)

TPP; ThPP; Thaimine pyrophosphate; Thiamin diphosphate; Thiamin pyrophosphate; Thiamin-PPi; Thiamine diphosphate; Thiamine pyrophosphate; Thiamine-PPi; Thiamine-pyrophosphate

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

TPP;ThPP;Thaimine pyrophosphate;Thiamin diphosphate;Thiamin pyrophosphate;Thiamin-PPi;Thiamine diphosphate;Thiamine pyrophosphate;Thiamine-PPi;Thiamine-pyrophosphate

SMILES:

Download: MOL2 SDF SMILES Flexibase

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
Ref Reference (pH 7)	-4.75	4.38	-217.61	2	11	-2	177	422.296	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-4.75	3.22	-112.63	3	11	-1	175	423.304	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-4.75	3.67	-154.1	4	11	0	176	424.312	8	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	3.72e-01 g/l	DrugBank-experimental
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	Oryza sativa Saccharomyces cerevisiae Xenopus tropicalis Schizosaccharomyces pombe Homo sapiens Drosophila melanogaster Danio rerio Dictyostelium discoideum Sus scrofa Mus musculus Bos taurus Caenorhabditis elegans Taeniopygia guttata Rattus norvegicus Gallus gallus Canis familiaris Arabidopsis thaliana
Branched-chain amino acid catabolism	Caenorhabditis elegans Plasmodium falciparum Dictyostelium discoideum Sus scrofa Homo sapiens Drosophila melanogaster Taeniopygia guttata Oryza sativa Rattus norvegicus Canis familiaris Bos taurus Mus musculus Danio rerio Arabidopsis thaliana Xenopus tropicalis Gallus gallus
Citric acid cycle (TCA cycle)	Plasmodium falciparum Rattus norvegicus Caenorhabditis elegans Arabidopsis thaliana Dictyostelium discoideum Sus scrofa Schizosaccharomyces pombe Mus musculus Gallus gallus Bos taurus Taeniopygia guttata Oryza sativa Saccharomyces cerevisiae Xenopus tropicalis Canis familiaris Homo sapiens Danio rerio Drosophila melanogaster
Insulin effects increased synthesis of Xylulose-5-Phosphate	Plasmodium falciparum Danio rerio Xenopus tropicalis Taeniopygia guttata Schizosaccharomyces pombe Arabidopsis thaliana Sus scrofa Canis familiaris Homo sapiens Oryza sativa Mus musculus Dictyostelium discoideum Gallus gallus Caenorhabditis elegans Rattus norvegicus Bos taurus Drosophila melanogaster Saccharomyces cerevisiae
Lysine catabolism	Danio rerio Plasmodium falciparum Homo sapiens Saccharomyces cerevisiae Oryza sativa Mus musculus Canis familiaris Arabidopsis thaliana Caenorhabditis elegans Rattus norvegicus Schizosaccharomyces pombe Gallus gallus Sus scrofa Dictyostelium discoideum Taeniopygia guttata Bos taurus Drosophila melanogaster Xenopus tropicalis
Pentose phosphate pathway (hexose monophosphate shunt)	Canis familiaris Dictyostelium discoideum Rattus norvegicus Gallus gallus Taeniopygia guttata Danio rerio Bos taurus Xenopus tropicalis Sus scrofa Homo sapiens Mus musculus Drosophila melanogaster Schizosaccharomyces pombe Saccharomyces cerevisiae Oryza sativa Arabidopsis thaliana Caenorhabditis elegans Plasmodium falciparum
Pyruvate metabolism	Plasmodium falciparum Sus scrofa Bos taurus Xenopus tropicalis Mus musculus Saccharomyces cerevisiae Caenorhabditis elegans Canis familiaris Oryza sativa Dictyostelium discoideum Rattus norvegicus Drosophila melanogaster Homo sapiens Schizosaccharomyces pombe Gallus gallus Arabidopsis thaliana Taeniopygia guttata Danio rerio
Regulation of pyruvate dehydrogenase (PDH) complex	Canis familiaris Drosophila melanogaster Saccharomyces cerevisiae Homo sapiens Bos taurus Schizosaccharomyces pombe Caenorhabditis elegans Rattus norvegicus Taeniopygia guttata Sus scrofa Xenopus tropicalis Mus musculus Oryza sativa Danio rerio Gallus gallus Arabidopsis thaliana
Vitamin B1 (thiamin) metabolism	Danio rerio Arabidopsis thaliana Rattus norvegicus Oryza sativa Xenopus tropicalis Homo sapiens Plasmodium falciparum Bos taurus Caenorhabditis elegans Canis familiaris Drosophila melanogaster Gallus gallus Taeniopygia guttata Sus scrofa Saccharomyces cerevisiae Dictyostelium discoideum Mus musculus

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

Synonyms (34)
Vendors (11)
Annotations (27)
Representations (3)
Notes (8)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (2)