cobamamide (Q239593)

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chemical compound

Language	Label	Description	Also known as
default for all languages	No label defined
English	cobamamide	chemical compound

Statements

type of chemical entity

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heterocyclic compound

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adenosylcobinamide-GDP ribazoletransferase activity

1 reference

http://geneontology.org/external2go/rhea2go

1 February 2021

chemical structure

AdoCbl-ColorCoded.png
3,278 × 4,738; 373 KB

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image of molecular model or crystal lattice model

Cobamamide 3D sticks.png
934 × 1,333; 310 KB

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1,578.6583403699995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₇₂H₁₀₀CoN₁₈O₁₇P

1 reference

based on heuristic

inferred from SMILES

C₇₂H₁₀₀CoN₁₈O₁₇P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+2]

1 reference

isomeric SMILES

[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O

0 references

1 reference

Recon 2.2: from reconstruction to model of human metabolism

subject has role

primary metabolite

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

2936.26.20

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Identifiers

InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

1 reference

based on heuristic

inferred from SMILES

ZIHHMGTYZOSFRC-OUCXYWSSSA-L

1 reference

ChEBI release 2020-09-01

CAS Registry Number

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imported from Wikimedia project

Russian Wikipedia

1 reference

imported from Wikimedia project

English Wikipedia

Reaxys registry number

4122932

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439994

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mapping relation type

2 references

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

DSSTox substance ID

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DSSTOX compound identifier

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1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Cobamamide (English)

CAS no.: 13870-90-1 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Cobamamide (English)

CAS no.: 13870-90-1 (English)

1 reference

CosIng database

28 December 2019

COBAMAMIDE (English)

CAS no.: 13870-90-1 (English)

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1 reference

matched by identifier from

ZIHHMGTYZOSFRC-OUCXYWSSSA-L

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZIHHMGTYZOSFRC-OUCXYWSSSA-L

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Probes And Drugs ID

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1 reference

imported from Wikimedia project

English Wikipedia

1 reference

6 April 2020

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

Sitelinks

Wikipedia(18 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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