(Q27105677)

English

adenosylcobinamide phosphate

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,319.549561±0 dalton

1 reference

language of work or name

29368594 (English)

5 October 2016

chemical formula

C₅₈H₈₅CoN₁₆O₁₄P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CN=C(CCC1(C)C(CC(=N)O)(C2(C3(C)C(C)(CC(=N)O)C(CCC(=N)O)(C(=C(C)C=4C(C)(CC(=N)O)C(CCC([NH-])=O)(C(=CC=5C(C)(C)C(CCC(=N)O)(C(=C(C)C1=N2)N5)[H])N4)[H])N3)[H])[H])[H])O)(OP(O)(O)=O)[H].[CH2]C1(C(C(C(N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(O)[H])[H].[Co+2]

1 reference

language of work or name

adenosylcobinamide phosphate (English)

5 October 2016

isomeric SMILES

C[C@](CN=C(CC[C@]1(C)[C@@](CC(=N)O)([C@@]2([C@@]3(C)[C@@](C)(CC(=N)O)[C@](CCC(=N)O)(C(=C(C)C=4[C@@](C)(CC(=N)O)[C@](CCC([NH-])=O)(C(=CC=5C(C)(C)[C@](CCC(=N)O)(C(=C(C)C1=N2)N5)[H])N4)[H])N3)[H])[H])[H])O)(OP(O)(O)=O)[H].[CH2][C@@]1([C@]([C@]([C@](N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(O)[H])[H].[Co+2]

1 reference

language of work or name

adenosylcobinamide phosphate (English)

5 October 2016

Identifiers

InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1

1 reference

based on heuristic

inferred from SMILES

MQCMBMUJJHSGIF-QMUWONGRSA-M

2 references

language of work or name

adenosylcobinamide phosphate (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

29368594 (English)

5 October 2016

mapping relation type

2 references

language of work or name

adenosylcobinamide phosphate (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MQCMBMUJJHSGIF-QMUWONGRSA-M

1 reference

language of work or name

adenosylcobinamide phosphate (English)

5 October 2016

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