AtMetExpress overview

Sumner LW, Lei Z, Nikolau BJ, Saito K. Modern plant metabolomics: advanced natural product gene discoveries, improved technologies, and future prospects. Nat Prod Rep. 2015 Feb;32(2):212–29. doi: 10.1039/c4np00072b. PMID: 25342293.

Metabolites

(9Z,12Z,15Z)-Octadecatrienoic acid

Formula: C18H30O2 (278.224568)

CAS ID: 463-40-1

(S)-Lactate

Formula: C3H6O3 (90.0316926)

CAS ID: 79-33-4

2-Oxoglutarate

Formula: C5H6O5 (146.0215226)

CAS ID: 328-50-7

4-Aminobutanoate

Formula: C4H9NO2 (103.0633254)

CAS ID: 56-12-2

5,6-Dihydrouracil

Formula: C4H6N2O2 (114.04292559999999)

CAS ID: 504-07-4

Acetyl-CoA

Formula: C23H38N7O17P3S (809.1257688000001)

CAS ID: 72-89-9

alpha-D-Mannose

Formula: C6H12O6 (180.0633852)

CAS ID: 3458-28-4

alpha-Maltose

Formula: C12H22O11 (342.11620619999997)

CAS ID: 4482-75-1

alpha-Tocopherol

Formula: C29H50O2 (430.38106)

CAS ID: 59-02-9

alpha,alpha-Trehalose

Formula: C12H22O11 (342.11620619999997)

CAS ID: 99-20-7

Aromatic acid

Formula: C7H6O2 (122.0367776)

CAS ID: 65-85-0

Ascorbate

Formula: C6H8O6 (176.0320868)

CAS ID: 50-81-7

beta-Alanine

Formula: C3H7NO2 (89.0476762)

CAS ID: 107-95-9

beta-D-Fructose

Formula: C6H12O6 (180.0633852)

CAS ID: 53188-23-1

beta-D-Fructose 1,6-bisphosphate

Formula: C6H14O12P2 (339.9960504)

CAS ID: 34693-15-7

beta-D-Glucose

Formula: C6H12O6 (180.0633852)

CAS ID: 492-61-5

beta-Sitosterol

Formula: C29H50O (414.386145)

CAS ID: 83-46-5

Caffeate

Formula: C9H8O4 (180.0422568)

CAS ID: 501-16-6

Campesterol

Formula: C28H48O (400.37049579999996)

CAS ID: 474-62-4

Cholesterol

Formula: C27H46O (386.3548466)

CAS ID: 57-88-5

cis-Aconitate

Formula: C6H6O6 (174.01643760000002)

CAS ID: 585-84-2

Citrate

Formula: C6H8O7 (192.0270018)

CAS ID: 77-92-9

Cyanidin

Formula: C15H11O6 (287.05556060000004)

CAS ID: 528-58-5

D-Arabinose

Formula: C5H10O5 (150.052821)

CAS ID: 10323-20-3

D-Fructose 6-phosphate

Formula: C6H13O9P (260.0297178)

CAS ID: 643-13-0

D-Gluconic acid

Formula: C6H12O7 (196.0583002)

CAS ID: 526-95-4

D-Glucose 6-phosphate

Formula: C6H13O9P (260.0297178)

CAS ID: 56-73-5

D-Glycerate

Formula: C3H6O4 (106.0266076)

CAS ID: 473-81-4

D-Ribose

Formula: C5H10O5 (150.052821)

CAS ID: 50-69-1

D-Xylose

Formula: C5H10O5 (150.052821)

CAS ID: 58-86-6

Dehydroascorbate

Formula: C6H6O6 (174.01643760000002)

CAS ID: 490-83-5

Ethanolamine

Formula: C2H7NO (61.0527612)

CAS ID: 141-43-5

Fumarate

Formula: C4H4O4 (116.01095839999999)

CAS ID: 110-17-8

Galacturonic acid

Formula: C6H10O7 (194.042651)

CAS ID: 14982-50-4

Glucoalyssin

Formula: C13H25NO10S3 (451.064055)

CAS ID: 499-37-6

Glucoberteroin

Formula: C13H25NO9S3 (435.06914)

CAS ID: 29611-01-6

Glucocheirolin

Formula: C11H21NO11S3 (439.0276716)

CAS ID: 15592-36-6

Glutarate

Formula: C5H8O4 (132.0422568)

CAS ID: 110-94-1

Glutathione

Formula: C10H17N3O6S (307.08380220000004)

CAS ID: 70-18-8

Glycerate 3-phosphate

Formula: C3H7O7P (185.9929402)

CAS ID: 820-11-1

Glycerol 2-phosphate

Formula: C3H9O6P (172.01367439999999)

CAS ID: 17181-54-3

Glycine

Formula: C2H5NO2 (75.032027)

CAS ID: 56-40-6

Hexadecanoic acid

Formula: C16H32O2 (256.2402172)

CAS ID: 57-10-3

Hydroxylamine

Formula: NH3O (33.0214628)

CAS ID: 7803-49-8

Inositol 1-phosphate

Formula: C6H13O9P (260.0297178)

CAS ID: 15421-51-9

Isocitrate

Formula: C6H8O7 (192.0270018)

CAS ID: 320-77-4

Isorhamnetin

Formula: C16H12O7 (316.05830019999996)

CAS ID: 480-19-3

Kaempferitrin

Formula: C27H30O14 (578.163548)

CAS ID: 482-38-2

Kaempferol

Formula: C15H10O6 (286.047736)

CAS ID: 520-18-3

L-Alanine

Formula: C3H7NO2 (89.0476762)

CAS ID: 56-41-7

L-Arginine

Formula: C6H14N4O2 (174.1116704)

CAS ID: 74-79-3

L-Asparagine

Formula: C4H8N2O3 (132.05348980000002)

CAS ID: 70-47-3

L-Aspartate

Formula: C4H7NO4 (133.0375062)

CAS ID: 56-84-8

L-Cysteine

Formula: C3H7NO2S (121.0197482)

CAS ID: 52-90-4

L-Cystine

Formula: C6H12N2O4S2 (240.02384719999998)

CAS ID: 56-89-3

L-Glutamate

Formula: C5H9NO4 (147.0531554)

CAS ID: 56-86-0

L-Glutamine

Formula: C5H10N2O3 (146.069139)

CAS ID: 56-85-9

L-Histidine

Formula: C6H9N3O2 (155.06947340000002)

CAS ID: 71-00-1

L-Homocysteine

Formula: C4H9NO2S (135.0353974)

CAS ID: 6027-13-0

L-Homoserine

Formula: C4H9NO3 (119.0582404)

CAS ID: 672-15-1

L-Isoleucine

Formula: C6H13NO2 (131.0946238)

CAS ID: 73-32-5

L-Leucine

Formula: C6H13NO2 (131.0946238)

CAS ID: 61-90-5

L-Lysine

Formula: C6H14N2O2 (146.1055224)

CAS ID: 56-87-1

L-Methionine

Formula: C5H11NO2S (149.0510466)

CAS ID: 63-68-3

L-Ornithine

Formula: C5H12N2O2 (132.0898732)

CAS ID: 70-26-8

L-Phenylalanine

Formula: C9H11NO2 (165.0789746)

CAS ID: 63-91-2

L-Proline

Formula: C5H9NO2 (115.0633254)

CAS ID: 147-85-3

L-Rhamnose

Formula: C6H12O5 (164.06847019999998)

CAS ID: 3615-41-6

L-Serine

Formula: C3H7NO3 (105.0425912)

CAS ID: 56-45-1

L-Threonine

Formula: C4H9NO3 (119.0582404)

CAS ID: 72-19-5

L-Tryptophan

Formula: C11H12N2O2 (204.0898732)

CAS ID: 73-22-3

L-Tyrosine

Formula: C9H11NO3 (181.0738896)

CAS ID: 60-18-4

L-Valine

Formula: C5H11NO2 (117.0789746)

CAS ID: 72-18-4

Linoleate

Formula: C18H32O2 (280.2402172)

CAS ID: 60-33-3

myo-Inositol

Formula: C6H12O6 (180.0633852)

CAS ID: 87-89-8

Nicotianamine

Formula: C12H21N3O6 (303.1430286)

CAS ID: 34441-14-0

Nicotinate

Formula: C6H5NO2 (123.032027)

CAS ID: 59-67-6

Octadecanoic acid

Formula: C18H36O2 (284.2715156)

CAS ID: 57-11-4

Oxaloacetate

Formula: C4H4O5 (132.00587339999998)

CAS ID: 328-42-7

Phosphoenolpyruvate

Formula: C3H5O6P (167.98237600000002)

CAS ID: 138-08-9

Phytol

Formula: C20H40O (296.307899)

CAS ID: 7541-49-3

Putrescine

Formula: C4H12N2 (88.1000432)

CAS ID: 110-60-1

Pyruvate

Formula: C3H4O3 (88.0160434)

CAS ID: 127-17-3

Quercetin

Formula: C15H10O7 (302.042651)

CAS ID: 117-39-5

Quercitrin

Formula: C21H20O11 (448.100557)

CAS ID: 522-12-3

Quinate

Formula: C7H12O6 (192.0633852)

CAS ID: 77-95-2

Raffinose

Formula: C18H32O16 (504.1690272)

CAS ID: 512-69-6

Salicylate

Formula: C7H6O3 (138.03169259999999)

CAS ID: 69-72-7

Shikimate

Formula: C7H10O5 (174.052821)

CAS ID: 138-59-0

sn-Glycerol 3-phosphate

Formula: C3H9O6P (172.01367439999999)

CAS ID: 17989-41-2

Spermidine

Formula: C7H19N3 (145.1578894)

CAS ID: 124-20-9

Stigmasterol

Formula: C29H48O (412.37049579999996)

CAS ID: 83-48-7

Succinyl-CoA

Formula: C25H40N7O19P3S (867.131248)

CAS ID: 604-98-8

Sucrose

Formula: C12H22O11 (342.11620619999997)

CAS ID: 57-50-1

Tetracosanoic acid

Formula: C24H48O2 (368.36541079999995)

CAS ID: 557-59-5

Tetradecanoic acid

Formula: C14H28O2 (228.20891880000002)

CAS ID: 544-63-8

Threonate

Formula: C4H8O5 (136.0371718)

CAS ID: 7306-96-9

Triethanolamine

Formula: C6H15NO3 (149.105188)

CAS ID: 102-71-6

Tryptamine

Formula: C10H12N2 (160.1000432)

CAS ID: 61-54-1

Tyramine

Formula: C8H11NO (137.0840596)

CAS ID: 51-67-2

Uracil

Formula: C4H4N2O2 (112.02727639999999)

CAS ID: 66-22-8

S-Adenosylmethionine

Formula: C15H23N6O5S (399.1450568)

CAS ID: 485-80-3

Quercetin 3-rhamnoside-7-glucoside

Formula: C27H30O16 (610.153378)

CAS ID: 17306-45-5



Enzyme

EC Number name full name note


Pathway Source

Organism Taxonomy Group Enzyme List Source Ratio