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Compound Summary

kainic acid

Compound Information

kainic acid

Compound Name:	kainic acid
Compound CID:	10255
Synonyms:	kainic acid 487-79-6 Digenin Kainate Digenic acid More...
Iupac Name:	(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
InChI:	InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
InChIKey:	VLSMHEGGTFMBBZ-OOZYFLPDSA-N
Canonical Smiles:	CC(=C)C1CNC(C1CC(=O)O)C(=O)O
Isomeric Smiles:	CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
Molecular Weight:	213.23
Molecular Formula:	C10H15NO4

Compound Structure

2D Structure:

3D Structure:

Computed Properties

kainic acid

Molecular Weight:	213.23
Molecular Formula:	C10H15NO4
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Heavy Atom Count:	15
Complexity:	300

Synonyms

kainic acid

kainic acid	kainic acid
kainic acid	487-79-6
Digenin	Kainate
Digenic acid	Helminal
L-alpha-Kainic acid	alpha-Kainic acid
Digensaeure	Kainsaeure
Acidum kainicum	Acide kainique
Acido kainico	C10H15NO4
3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-	UNII-SIV03811UC
alpha- Kainic acid	CHEMBL275040
SIV03811UC	CHEBI:31746
3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-	(2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid
NSC136038	3-(Carboxymethyl)-4-isopropenylproline
(3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline	NCGC00024504-05
(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline	NSC 136038
(2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid	DSSTox_CID_20526
DSSTox_RID_79503	DSSTox_GSID_40526
(2S,3S,4S)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid	Kainic acid INN:JAN
CAS-487-79-6	Acide kainique INN-French
Acido kainico INN-Spanish	Acidum kainicum INN-Latin
2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid	SR-01000075454
2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine	BRN 0086660
kainic-acid	(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
KAI	1p1n
Kainic acid (synthetic)	Biomol-NT_000217
UPCMLD-DP146	3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-
Lopac0_000656	SCHEMBL15777
4-22-00-01523 (Beilstein Handbook Reference)	MLS001074661
BPBio1_001306	(-)-(.alpha.)-Kainic Acid
2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid	DTXSID7040526
UPCMLD-DP146:001	UPCMLD-DP146:002
HMS2233K05	HMS3262C13
HMS3266C11	HMS3411A21
HMS3675A21	HY-N2309
ZINC3995575	Tox21_110905
Tox21_500656	BDBM50002369
Kainic Acid - CAS 487-79-6	AKOS024456995
Tox21_110905_1	CCG-204742
LP00656	NSC-136038
SDCCGSBI-0050635.P002	NCGC00024504-02
NCGC00024504-03	NCGC00024504-04
NCGC00024504-06	NCGC00024504-07
NCGC00024504-08	NCGC00024504-09
NCGC00024504-15	NCGC00261341-01
R081	SMR000471885
B6226	CS-0020451
EU-0100656	K 0250
Q390239	SR-01000597728
SR-01000075454-1	SR-01000075454-5
SR-01000075454-6	SR-01000075454-7
SR-01000597728-1	rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline
2S-CARBOXY-4S-(1-METHYLETHENYL)-3S-PYRROLDINEACETIC ACID	L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-
3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI)	4071-38-9

Experimental Data

kainic 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			-3.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

kainic acid

Statistics Data

kainic acid

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-3.000000000000000		1	1

Statistics Data Visualization

kainic acid

Compound Name:

kainic acid

Compound CID:

10255

Synonyms:

kainic acid 487-79-6 Digenin Kainate Digenic acid More...

Iupac Name:

(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1

InChIKey:

VLSMHEGGTFMBBZ-OOZYFLPDSA-N

Canonical Smiles:

CC(=C)C1CNC(C1CC(=O)O)C(=O)O

Isomeric Smiles:

CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O

Molecular Weight:

213.23

Molecular Formula:

C10H15NO4

Molecular Weight:

213.23

Molecular Formula:

C10H15NO4

Hydrogen Bond Donor Count:

3

Hydrogen Bond Acceptor Count:

5

Rotatable Bond Count:

4

Heavy Atom Count:

15

Complexity:

300

kainic acid

487-79-6

Digenin

Kainate

Digenic acid

Helminal

L-alpha-Kainic acid

alpha-Kainic acid

Digensaeure

Kainsaeure

Acidum kainicum

Acide kainique

Acido kainico

C10H15NO4

3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-

UNII-SIV03811UC

alpha- Kainic acid

CHEMBL275040

SIV03811UC

CHEBI:31746

3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-

(2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid

NSC136038

3-(Carboxymethyl)-4-isopropenylproline

(3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline

NCGC00024504-05

(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline

NSC 136038

(2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid

DSSTox_CID_20526

DSSTox_RID_79503

DSSTox_GSID_40526

(2S,3S,4S)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid

Kainic acid INN:JAN

CAS-487-79-6

Acide kainique INN-French

Acido kainico INN-Spanish

Acidum kainicum INN-Latin

2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid

SR-01000075454

2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine

BRN 0086660

kainic-acid

(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

KAI

1p1n

kainic acid

487-79-6

Digenin

Kainate

Digenic acid

More...