Compound Summary
urocanic acid
Compound Information
urocanic acid
Compound Name: | urocanic acid |
Compound CID: | 736715 |
Synonyms: | urocanic acid 4-imidazoleacrylic acid 104-98-3 trans-Urocanic acid urocanate More... |
Iupac Name: | (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid |
InChI: | InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ |
InChIKey: | LOIYMIARKYCTBW-OWOJBTEDSA-N |
Canonical Smiles: | C1=C(NC=N1)C=CC(=O)O |
Isomeric Smiles: | C1=C(NC=N1)/C=C/C(=O)O |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
urocanic acid
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 10 |
Complexity: | 156 |
Synonyms
urocanic acid
| urocanic acid | urocanic acid |
|---|---|
urocanic acid |
4-imidazoleacrylic acid |
104-98-3 |
trans-Urocanic acid |
urocanate |
3465-72-3 |
Urocaninic acid |
imidazoleacrylic acid |
5-Imidazoleacrylic acid |
Imidazole-4-acrylic acid |
3-Imidazol-4-ylacrylic acid |
(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID |
(E)-3-(1H-imidazol-5-yl)acrylic acid |
3-(1H-Imidazol-4-yl)-2-propenoic acid |
3-(1H-imidazol-4-yl)acrylic acid |
UNII-G8D26XJJ3B |
(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid |
(E)-3-(1H-Imidazol-4-yl)-2-propenoic acid |
(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid |
2-Propenoic acid, 3-(1H-imidazol-4-yl)- |
G8D26XJJ3B |
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (2E)- |
MLS000069482 |
CHEBI:30817 |
4-IMIDAZOLE ACRYLIC ACID DIHYDRATE |
SMR000059098 |
NSC 66357 |
(e)-3-(1h-imidazol-4-yl)acrylic acid |
3-(4-Imidazolyl)acrylic acid |
Q60998685 |
(2E)-3-imidazol-4-ylprop-2-enoic acid |
(E)-3-(imidazol-4-yl)propenoate |
(E)-3-(1H-Imidazol-5-yl)-2-propenoic acid |
3-(1H-imidazol-4-yl)prop-2-enoic acid |
5-Imidazoleacrylate |
zlchem 24 |
(E)-3-(4-Imidazolyl)acrylic acid |
MFCD00005203 |
Imidazole-4-acrylate |
Opera_ID_26 |
UROCANIC ACID, CIS |
3-(4-Imidazolyl)acrylate |
bmse000279 |
DSSTox_CID_21148 |
DSSTox_RID_79635 |
DSSTox_GSID_41148 |
Lopac0_001255 |
SCHEMBL15417 |
trans-4-imidazoleacrylic acid |
MLS001148240 |
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (E)- |
4-Imidazoleacrylic acid, 99% |
3-(1H-Imidazol-4-yl)acrylate |
CHEMBL1236602 |
DTXSID5041148 |
CHEBI:27248 |
AMY7015 |
ZLB0011 |
E-3-(4-imidazolyl)propenoic acid |
HMS2234N08 |
HMS3263L12 |
ACT02032 |
ALBB-025618 |
NSC66357 |
Tox21_202978 |
Tox21_501255 |
BBL027507 |
MFCD01593677 |
NSC-66357 |
NSC407934 |
s9449 |
SBB006702 |
STK735136 |
ZINC34633903 |
(E)-3-(imidazol-4-yl)acrylic acid |
3-(3H-Imidazol-4-yl)-acrylic acid |
3-(1H-Imidazol-4-yl)-2-propenoate |
AKOS001745677 |
AKOS005265082 |
AKOS022488522 |
(e)-3-(Imidazol-4-yl)propenoic acid |
CCG-205329 |
DB01971 |
HS-0075 |
LP01255 |
NSC-407934 |
SDCCGSBI-0051222.P002 |
NCGC00094495-01 |
NCGC00094495-02 |
NCGC00094495-03 |
NCGC00094495-05 |
NCGC00260524-01 |
NCGC00261940-01 |
CAS-104-98-3 |
ST085933 |
3-Azonia-1H-imidazole-5-acrylic acidanion |
HY-113008 |
CS-0059340 |
EU-0101255 |
I0002 |
2-Propenoic acid, 3-(1H-imidazole-4-yl)- |
(E)-3-(1H-imidazol-4-yl)prop-2-enoic acid |
C00785 |
E72446 |
Q30536 |
U 7500 |
(2E)-3-(1H-imidazol-5-yl)prop-2-enoic acid |
A936841 |
Imidazole-4-propene-2-enoic acid Urocanic acid |
SR-01000076189 |
SR-01000076189-1 |
W-108797 |
23A7DA77-EC02-46B9-AA22-514C2B2A62E9 |
3-(1h-imidazol-4-yl)-2-propenoicaci ;3-(1h-imidazol-4-yl)-2-propenoicacid |
Experimental Data
urocanic acid
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -2.000000000000000 | NS | N2 | 24134630 | Inactive | ||||||
| Caenorhabditis elegans | 10.000000000000000 | mM | 0.000000000000000 | NS | N2 | 25643626 | Inactive | ||||||
| Caenorhabditis elegans | 0.100000000000000 | mM | 5.000000000000000 | NS | N2 | 25643626 | Inactive | ||||||
| Caenorhabditis elegans | 1.000000000000000 | mM | -3.000000000000000 | NS | N2 | 25643626 | Inactive |
Experimental Data Visualization
urocanic acid
Statistics Data
urocanic acid
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5.000000000000000 | 2 | 4 |
Statistics Data Visualization
urocanic acid
