MiMeDB: Showing metabocard for vitamin B12 (MMDBc0031755)

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:47:56 UTC

Update Date

2024-10-11 02:47:24 UTC

Metabolite ID

MMDBc0031755

Metabolite Identification

Common Name

vitamin B12

Description

Vitamin B12 is a cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₆₂H₈₈CoN₁₃O₁₄P

Average Mass

1329.3478

Monoisotopic Mass

1328.564331295

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2

InChI Key

NSLAUEAQDBERRV-UHFFFAOYSA-L

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	989.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	829.7
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	254.2
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	566.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	568.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	219.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	734.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	1588.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	437.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	205.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	740.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	228.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	107.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	1175.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	742.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	140.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	528.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1220.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1043.1

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018831	vitamin B12	Polyphosphate	Corrinoid adenosyltransferase	Transfers of an adenosyl group	PathBank	31602464
MMDBr0018859	vitamin B12	Adenosylcobalamin	Corrinoid adenosyltransferase	Transfers of an adenosyl group	PathBank	31602464
MMDBr0019862	vitamin B12	Adenosylcobalamin	Unknown Protein		PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Food Exposures

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Not Available	Agar	FooDB	DTU
Animal	Not Available	Anguilliformes	FooDB	DTU
Animal	Not Available	Atlantic halibut	FooDB	DTU
Animal	Not Available	Atlantic wolffish	FooDB	DTU
Animal	Not Available	Burbot	FooDB	DTU
Animal	Not Available	Carp bream	FooDB	DTU
Animal	Not Available	Charr	FooDB	DTU
Animal	Not Available	Chicken	FooDB	DTU
Animal	Not Available	Clawed lobster	FooDB	DTU
Animal	Not Available	Clupeinae (herring, sardine, sprat)	FooDB	DTU
Animal	Not Available	Common dab	FooDB	DTU
Animal	Not Available	Common octopus	FooDB	DTU
Animal	Not Available	Crab	FooDB	DTU
Animal	Not Available	Crayfish	FooDB	DTU
Animal	Not Available	Flatfish	FooDB	DTU
Animal	Not Available	Gadiformes	FooDB	DTU
Animal	Not Available	Gadus (common cod)	FooDB	DTU
Animal	Not Available	Garfish	FooDB	DTU
Animal	Not Available	Greenland halibut/turbot	FooDB	DTU
Animal	Not Available	Haddock	FooDB	DTU
Animal	Not Available	Kombu	FooDB	DTU
Animal	Not Available	Lake trout	FooDB	DTU
Animal	Not Available	Lemon sole	FooDB	DTU
Animal	Not Available	Lumpsucker	FooDB	DTU
Animal	Not Available	Marine mussel	FooDB	DTU
Animal	Not Available	Mountain hare	FooDB	DTU
Animal	Not Available	Northern pike	FooDB	DTU
Animal	Not Available	Norway lobster	FooDB	DTU
Animal	Not Available	Norway pout	FooDB	DTU
Animal	Not Available	Pacific ocean perch	FooDB	DTU
Animal	Not Available	Perciformes	FooDB	DTU
Animal	Not Available	Pikeperch	FooDB	DTU
Animal	Not Available	Pleuronectidae (dab, halibut, plaice)	FooDB	DTU
Animal	Not Available	Pollock	FooDB	DTU
Animal	Not Available	Rainbow trout	FooDB	DTU
Animal	Not Available	Salmonidae (salmon, trout)	FooDB	DTU
Animal	Not Available	Scombridae (bonito, mackerel, tuna)	FooDB	DTU
Animal	Not Available	Shrimp	FooDB	DTU
Animal	Not Available	Snail	FooDB	DTU
Animal	Not Available	Spiny dogfish	FooDB	DTU
Animal	Not Available	Sturgeon	FooDB	DTU
Animal	Not Available	Thunnus	FooDB	DTU
Animal	Not Available	Turbot	FooDB	DTU
Animal	Not Available	Whitefish	FooDB	DTU
Animal	Not Available	Whiting	FooDB	DTU
Plant	Not Available	Alcoholic beverage	FooDB	34893796
Plant	Not Available	Allium	FooDB	DTU
Plant	Not Available	Almond	FooDB	DTU
Plant	Not Available	Arabica coffee	FooDB	DTU
Plant	Not Available	Beer	FooDB	DTU
Plant	Not Available	Black salsify	FooDB	DTU
Plant	Not Available	Black walnut	FooDB	DTU
Plant	Not Available	Brandy	FooDB	DTU
Plant	Not Available	Broccoli	FooDB	DTU
Plant	Not Available	Brussel sprouts	FooDB	DTU
Plant	Not Available	Cassava	FooDB	DTU
Plant	Not Available	Cauliflower	FooDB	DTU
Plant	Not Available	Chanterelle	FooDB	DTU
Plant	Not Available	Cherimoya	FooDB	DTU
Plant	Not Available	Chervil	FooDB	DTU
Plant	Not Available	Chicory	FooDB	DTU
Plant	Not Available	Chinese cabbage	FooDB	DTU
Plant	Not Available	Chives	FooDB	DTU
Plant	Not Available	Cinnamon	FooDB	DTU
Plant	Not Available	Common bean	FooDB	DTU
Plant	Not Available	Common cabbage	FooDB	DTU
Plant	Not Available	Common mushroom	FooDB	DTU
Plant	Not Available	Common pea	FooDB	DTU
Plant	Not Available	Dill	FooDB	DTU
Plant	Not Available	Endive	FooDB	DTU
Plant	Not Available	French plantain	FooDB	DTU
Plant	Not Available	Garden cress	FooDB	DTU
Plant	Not Available	Garden rhubarb	FooDB	DTU
Plant	Not Available	Garlic	FooDB	DTU
Plant	Not Available	Globe artichoke	FooDB	DTU
Plant	Not Available	Horseradish	FooDB	DTU
Plant	Not Available	Jerusalem artichoke	FooDB	DTU
Plant	Not Available	Kale	FooDB	DTU
Plant	Not Available	Kohlrabi	FooDB	DTU
Plant	Not Available	Lentils	FooDB	DTU
Plant	Not Available	Lettuce	FooDB	DTU
Plant	Not Available	Loquat	FooDB	DTU
Plant	Not Available	Nutmeg	FooDB	DTU
Plant	Not Available	Okra	FooDB	DTU
Plant	Not Available	Oyster mushroom	FooDB	DTU
Plant	Not Available	Pak choy	FooDB	DTU
Plant	Not Available	Papaya	FooDB	DTU
Plant	Not Available	Parsley	FooDB	DTU
Plant	Not Available	Parsnip	FooDB	DTU
Plant	Not Available	Pepper	FooDB	Manually Annotated
Plant	Not Available	Pepper (spice)	FooDB	DTU
Plant	Not Available	Potato	FooDB	DTU
Plant	Not Available	Red wine	FooDB	DTU
Plant	Not Available	Robusta coffee	FooDB	DTU
Plant	Not Available	Rose wine	FooDB	DTU
Plant	Not Available	Round kumquat	FooDB	DTU
Plant	Not Available	Savoy cabbage	FooDB	DTU
Plant	Not Available	Sorrel	FooDB	DTU
Plant	Not Available	Soy bean	FooDB	DTU
Plant	Not Available	Spinach	FooDB	DTU
Plant	Not Available	Swede	FooDB	DTU
Plant	Not Available	Sweet potato	FooDB	DTU
Plant	Not Available	Swiss chard	FooDB	DTU
Plant	Not Available	Turnip	FooDB	DTU
Plant	Not Available	Watercress	FooDB	DTU
Plant	Not Available	Whisky	FooDB	DTU
Plant	Not Available	White wine	FooDB	DTU
Plant	Not Available	Wild celery	FooDB	DTU
Plant	Not Available	Wild leek	FooDB	DTU
Plant	Bean	Common bean	FooDB	DTU
Plant	Bean sprout	Common bean	FooDB	DTU
Plant	Bean sprout	Mung bean	FooDB	DTU
Plant	Cocoa products	Cocoa bean	FooDB	DTU
Plant	Coffee	Arabica coffee	FooDB	DTU
Plant	Coffee	Robusta coffee	FooDB	DTU
Animal	Egg	Anser	FooDB	DTU
Animal	Egg	Chicken	FooDB	DTU
Animal	Egg	Mallard duck	FooDB	DTU
Animal	Fat	Anser	FooDB	DTU
Animal	Fat	Cow	FooDB	DTU
Animal	Fat	Domestic pig	FooDB	DTU
Animal	Fat	Wild boar	FooDB	DTU
Animal	Fillet	Blue whiting	FooDB	DTU
Animal	Fillet	Catfish	FooDB	DTU
Animal	Fillet	Common ling	FooDB	DTU
Animal	Fillet	Gadus (common cod)	FooDB	DTU
Animal	Fillet	Norway haddock	FooDB	DTU
Animal	Fillet	Pollock	FooDB	DTU
Animal	Fllet	Gadus (common cod)	FooDB	DTU
Plant	Flour	Potato	FooDB	DTU
Plant	Flour	Soy bean	FooDB	DTU
Plant	Fruit	Apple	FooDB	DTU
Plant	Fruit	Apricot	FooDB	DTU
Plant	Fruit	Avocado	FooDB	DTU
Plant	Fruit	Bilberry	FooDB	DTU
Plant	Fruit	Blackcurrant	FooDB	DTU
Plant	Fruit	Chayote	FooDB	DTU
Plant	Fruit	Coconut	FooDB	DTU
Plant	Fruit	Cucumber	FooDB	DTU
Plant	Fruit	Cucurbita	FooDB	DTU
Plant	Fruit	Date	FooDB	DTU
Plant	Fruit	Eggplant	FooDB	DTU
Plant	Fruit	Elderberry	FooDB	DTU
Plant	Fruit	European plum	FooDB	DTU
Plant	Fruit	Fig	FooDB	DTU
Plant	Fruit	Garden tomato	FooDB	DTU
Plant	Fruit	Gooseberry	FooDB	DTU
Plant	Fruit	Grape	FooDB	DTU
Plant	Fruit	Grapefruit	FooDB	DTU
Plant	Fruit	Green zucchini	FooDB	DTU
Plant	Fruit	Groundcherry	FooDB	DTU
Plant	Fruit	Guava	FooDB	DTU
Plant	Fruit	Kiwi	FooDB	DTU
Plant	Fruit	Lemon	FooDB	DTU
Plant	Fruit	Lichee	FooDB	DTU
Plant	Fruit	Lime	FooDB	DTU
Plant	Fruit	Lingonberry	FooDB	DTU
Plant	Fruit	Loganberry	FooDB	DTU
Plant	Fruit	Malus (crab apple)	FooDB	DTU
Plant	Fruit	Mandarin orange (clementine, tangerine)	FooDB	DTU
Plant	Fruit	Mango	FooDB	DTU
Plant	Fruit	Muskmelon	FooDB	DTU
Plant	Fruit	Nectarine	FooDB	DTU
Plant	Fruit	Passion fruit	FooDB	DTU
Plant	Fruit	Peach	FooDB	DTU
Plant	Fruit	Pear	FooDB	DTU
Plant	Fruit	Pepper	FooDB	All-Creatures
Plant	Fruit	Persimmon	FooDB	DTU
Plant	Fruit	Pineapple	FooDB	DTU
Plant	Fruit	Pomegranate	FooDB	DTU
Plant	Fruit	Prickly pear	FooDB	DTU
Plant	Fruit	Prunus (cherry, plum)	FooDB	DTU
Plant	Fruit	Quince	FooDB	DTU
Plant	Fruit	Redcurrant	FooDB	DTU
Plant	Fruit	Rose hip	FooDB	DTU
Plant	Fruit	Star fruit	FooDB	DTU
Plant	Fruit	Strawberry	FooDB	DTU
Plant	Fruit	Sunburst squash (pattypan squash)	FooDB	34893796
Plant	Fruit	Sweet orange	FooDB	DTU
Plant	Fruit	Tamarind	FooDB	DTU
Plant	Fruit	Vaccinium (blueberry, cranberry, huckleberry)	FooDB	DTU
Plant	Fruit	Watermelon	FooDB	DTU
Animal	Hand	Pig	FooDB	DTU
Animal	Hand with rind	Pig	FooDB	DTU
Animal	Heart	Chicken	FooDB	DTU
Animal	Heart	Cow	FooDB	DTU
Animal	Heart	Pig	FooDB	DTU
Animal	Hind leg without rind	Pig	FooDB	DTU
Plant	Juice	Blackcurrant	FooDB	DTU
Plant	Juice	Elderberry	FooDB	DTU
Plant	Juice	Grape	FooDB	DTU
Plant	Juice	Lemon	FooDB	DTU
Plant	Juice	Prunus (cherry, plum)	FooDB	DTU
Plant	Juice	Strawberry	FooDB	DTU
Animal	Kidney	Cow	FooDB	DTU
Animal	Kidney	Pig	FooDB	DTU
Plant	Leaves	Celery leaves	FooDB	DTU
Plant	Leaves	Coriander	FooDB	DTU
Plant	Leaves	Dandelion	FooDB	DTU
Plant	Leaves	Tea	FooDB	DTU
Animal	Leg	True frog	FooDB	DTU
Animal	Leg meat	Pig	FooDB	DTU
Animal	Leg with knuckle	Pig	FooDB	DTU
Animal	Liver	Chicken	FooDB	DTU
Animal	Liver	Cow	FooDB	DTU
Animal	Liver	Duck	FooDB	DTU
Animal	Liver	Gadus (common cod)	FooDB	DTU
Animal	Liver	Goose	FooDB	DTU
Animal	Liver	Pig	FooDB	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat and skin	Duck	FooDB	DTU
Animal	Meat and skin	Goose	FooDB	DTU
Animal	Meat and skin	Pig	FooDB	DTU
Animal	Meat and skin	Turkey	FooDB	DTU
Animal	Milk	Cow	FooDB	22081685
Animal	Milk	Domestic goat	FooDB	DTU
Animal	Milk	Human	FooDB	DTU
Animal	Neck	Pig	FooDB	DTU
Plant	Nut	Brazil nut	FooDB	DTU
Plant	Nut	Chestnut	FooDB	DTU
Plant	Nut	Hazelnut	FooDB	DTU
Plant	Nut	Peanut	FooDB	DTU
Plant	Nut	Pecan nut	FooDB	DTU
Plant	Nut	Pine nut	FooDB	DTU
Plant	Nut	Pistachio	FooDB	DTU
Animal	Oil	Gadus (common cod)	FooDB	DTU
Animal	Oil	Haddock	FooDB	DTU
Plant	Oil	Coconut	FooDB	DTU
Plant	Oil	Cottonseed	FooDB	DTU
Plant	Oil	Flaxseed	FooDB	DTU
Plant	Oil	Oil palm	FooDB	DTU
Plant	Oil	Olive	FooDB	DTU
Plant	Oil	Peanut	FooDB	DTU
Plant	Oil	Rape	FooDB	DTU
Plant	Oil	Safflower	FooDB	DTU
Plant	Oil	Sesame	FooDB	DTU
Plant	Oil	Soy bean	FooDB	DTU
Plant	Oil	Sunflower	FooDB	DTU
Plant	Oil	Thistle	FooDB	DTU
Plant	Oil	Walnut	FooDB	DTU
Plant	Peel	Lemon	FooDB	DTU
Plant	Powder	Garlic	FooDB	DTU
Plant	Powder	Rose hip	FooDB	DTU
Animal	Rib	Pig	FooDB	DTU
Animal	Roe	Gadus (common cod)	FooDB	DTU
Plant	Root	Carrot	FooDB	DTU
Plant	Root	Daikon radish	FooDB	DTU
Plant	Root	Fennel	FooDB	DTU
Plant	Root	Ginger	FooDB	DTU
Plant	Root	Horseradish	FooDB	DTU
Plant	Root	Parsley	FooDB	DTU
Plant	Root	Red beetroot	FooDB	DTU
Plant	Seed	Adzuki bean	FooDB	DTU
Plant	Seed	Alfalfa	FooDB	DTU
Plant	Seed	Chickpea	FooDB	DTU
Plant	Seed	Common bean	FooDB	DTU
Plant	Seed	Common pea	FooDB	DTU
Plant	Seed	Coriander	FooDB	DTU
Plant	Seed	Fennel	FooDB	DTU
Plant	Seed	Flaxseed	FooDB	DTU
Plant	Seed	Mung bean	FooDB	DTU
Plant	Seed	Poppy	FooDB	DTU
Plant	Seed	Sesame	FooDB	DTU
Plant	Seed	Soy bean	FooDB	DTU
Plant	Seed	Sunflower	FooDB	DTU
Plant	Seed oil	Grape	FooDB	DTU
Plant	Shoot	Asparagus	FooDB	DTU
Plant	Shoot	Bamboo shoots	FooDB	DTU
Plant	Shoot	Celeriac	FooDB	DTU
Animal	Shoulder	Pig	FooDB	DTU
Plant	Sprout	Soy bean	FooDB	DTU
Animal	Thymus	Cow	FooDB	DTU
Animal	Thymus	Sheep (mutton, lamb)	FooDB	DTU
Animal	Tongue	Cow	FooDB	DTU
Animal	Tongue	Pig	FooDB	DTU
Plant	Tuber	Yam	FooDB	DTU
Animal	Meat	See All	FooDB	DTU

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Cow	FooDB	DTU
Animal	Meat	Crab	FooDB	DTU
Animal	Meat	Duck	FooDB	DTU
Animal	Meat	Goose	FooDB	DTU
Animal	Meat	Pig	FooDB	DTU
Animal	Meat	Rabbit	FooDB	DTU
Animal	Meat	Rock ptarmigan	FooDB	DTU
Animal	Meat	Sheep (mutton, lamb)	FooDB	DTU
Animal	Meat	Squab	FooDB	DTU
Animal	Meat	Turkey	FooDB	DTU

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for vitamin B12 (MMDBc0031755)

MOL for #<Metabolite:0x00007f9aadda0e40>

3D MOL for #<Metabolite:0x00007f9aadda0e40>

3D SDF for #<Metabolite:0x00007f9aadda0e40>

3D-SDF for #<Metabolite:0x00007f9aadda0e40>

PDB for #<Metabolite:0x00007f9aadda0e40>

3D PDB for #<Metabolite:0x00007f9aadda0e40>

SMILES for #<Metabolite:0x00007f9aadda0e40>

INCHI for #<Metabolite:0x00007f9aadda0e40>

Structure for #<Metabolite:0x00007f9aadda0e40>

3D Structure for #<Metabolite:0x00007f9aadda0e40>