cyanocobalamin (Q252251)

Gene Ontology release 2020-05-02

1 reference

Cyanocobalamin (English)

DrugBank

17 November 2015

Cyanocobalamin.svg
501 × 751; 73 KB

0 references

mass

1,354.567 dalton

1 reference

Nascobal (TN) (English)

18 November 2016

chemical formula

C₆₃H₈₈CoN₁₄O₁₄P

1 reference

Nascobal (TN) (English)

18 November 2016

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.[C-]#N.[Co+3]

1 reference

Nascobal (TN) (English)

18 November 2016

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(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

1 reference

PubChem

Cyanocobalamin (English)

18 October 2018

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](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.[C-]#N.[Co+3]

1 reference

Nascobal (TN) (English)

18 November 2016

[Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8

1 reference

UNII

P6YC3EG204

safety classification and labelling

15 February 2018

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

1

1

0

no value

1 reference

imported from Wikimedia project

English Wikipedia

defined daily dose

1 milligram

route of administration

oral administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=B03BA01

1 reference

15 February 2018

medical condition treated

1 reference

13 December 2016

1 reference

13 December 2016

diabetic polyneuropathy

1 reference

13 December 2016

1 reference

13 December 2016

1 reference

Medical Subject Headings

15 March 2018

C64333

1 reference

InChI=1S/C62H90N13O14P.CN.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;1-2;/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;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1

15 February 2018

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Cyanocobalamin

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Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

FDJOLVPMNUYSCM-UVKKECPRSA-L

2 references

Nascobal (TN) (English)

18 November 2016

15 February 2018

2 references

Cyanocobalamin (English)

publication date

17 November 2015

15 February 2018

1 reference

cobaltic;3-[(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R)-17-[3-[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyp (English)