UCSF

ZINC03861770

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 Yes

Other Names:

"Creatine monohydrate, 99%"

"Creatine, 99%"

((amino(imino)methyl)(methyl)amino)acetate; ((amino(imino)methyl)(methyl)amino)acetic acid; (alpha-Methylguanido)acetate; (alpha-Methylguanido)acetic acid; Cosmocair C 100; Creatin; Creatine; Creatine hydrate; Kreatin; Krebiozon; Methylguanidoacetate; Met

((amino(imino)methyl)(methyl)amino)acetate;((amino(imino)methyl)(methyl)amino)acetic acid;(alpha-Methylguanido)acetate;(alpha-Methylguanido)acetic acid;Cosmocair C 100;Creatin;Creatine;Creatine hydrate;Kreatin;Krebiozon;Methylguanidoacetate;Methylguanidoa

((amino(imino)methyl)(methyl)amino)acetic acid; (N-methylcarbamimidamido)acetic acid; (alpha-methylguanido)acetic acid; Creatin; Kreatin; N-(aminoiminomethyl)-N-methylglycine; N-Methyl-N-guanylglycine; N-amidinosarcosine; N-methyl-N-guanylglycine

(alpha-Methylguanido)acetic acid

(alpha-Methylguanido)acetic acid; Creatin; Creatine; Creatine, hydrate; Glycine, N-(aminoiminomethyl)-N-methyl-; Kreatin; Krebiozon; Methylglycocyamine; N-Amidinosarcosine; N-Methyl-N-guanylglycine; Pyrolysate; alpha-Methylguanidino acetic acid; bmse00099

(N-methylcarbamimidamido)acetate; N-[amino(imino)methyl]-N-methylglycinate

2-(1-Methylguanidino)acetic acid

2-(1-Methylguanidino)acetic acid hydrate

2-(1-Methylguanidino)acetic acid hydrochloride

57-00-1; C00300; Creatine; Methylglycocyamine; alpha-Methylguanidino acetic acid

57-00-1; N-amidinosarcosine; N-methyl-N-guanylglycine; creatine; methylglycocyamine; methylguanidinoacetic acid

CHEBI:41678; CHEBI:23404; CHEBI:14028; CHEBI:3909

Cosmocair C 100

Creatin

creatinate

Creatine (8CI)

Creatine anhydrous

Creatine HCl

Creatine hemisulfate salt

Creatine Hydrate

Creatine hydrate; Creatine monohydrate; Creatine, monohydrate; Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate; LS-72266; N-(Aminoiminomethyl)-N-methylglycine monohydrate

Creatine monohydrate

Creatine monohydrate, 99%

Creatine pyruvate

creatine zwitterion

Creatine, anhydrous

Creatine, anhydrous, 98%

Creatine, hydrate

Creatine-(methyl-d3)monohydrate

CREATINEHEMISULFATESALT

Glycine,N- -N-methyl-,mono

Kreatin

Krebiozon

Methylguanidoacetic acid

MFCD00004282

MFCD00071582

MFCD02098067

MFCD09264309

MFCD11042669

N-Amidinosarcosine

N-Amidinosarcosine monohydrate

N-carbamimidoyl-N-methylglycine

N-Methyl-N-guanylglycine

Phosphagen

Pyrolysate

Sodium 2-(1-methylguanidino)acetate hydrogenphosphate tetrahydrate

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.25 -1.63 -41.1 4 5 0 94 131.135 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 292 Acros Organics
ALOGPS_SOLUBILITY 4.11e+00 g/l DrugBank-nutriceuticals
Melting_Point ca 290? dec. Alfa-Aesar
Melting_Point ca 290° dec. Alfa-Aesar
Melting_Point ca 292? dec. Alfa-Aesar
Melting_Point ca 292° dec. Alfa-Aesar
UniProt Database Links CAV3_HUMAN; CREA_BACB0; CREA_FLASU; CREA_PSEPU; CRNA_PSEPU; DPM1_HUMAN; DPM3_HUMAN; DYSF_HUMAN; ECHMN_ECHLU; ENOB_HUMAN; FKRP_HUMAN; FKTN_HUMAN; GAMTA_XENLA; GAMTB_XENLA; GAMT_BOVIN; GAMT_DANRE; GAMT_HUMAN; GAMT_MOUSE; GAMT_RAT; GAMT_XENTR; GATM_BOVIN; GA ChEBI
Patent Database Links EP1302465; EP1685843; EP1688139; US2006135822; WO2006124494 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_11155; REACT_11156; REACT_11191; REACT_2094 ChEBI
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Creatine metabolism

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

No pre-computed analogs available. Try a structural similarity search.