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[1. A derivative of vitamin B12; its impaired biosynthesis can lead to methylmalonic acidemia.
pre_formula_key( "InChIKey=OAJLVMGLJZXSGX-PJGZVNHADK", "jqp073/6436143.html" ); ?>
pre_formula( "InChI=1/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;-1;+3/p-2/t31u,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1/fC62H88N13O14P.C10H12N5O3.Co/h69H,63-68H2;11H2;/q-2;2m/b42-23+,54-32-,55-33-;;", "jqp073/6436143.html" ); ?>
Molecular Formula:
C72H100CoN18O17P
InChI: InChI=1/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;-1;+3/p-2/t31u,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1/fC62H88N13O14P.C10H12N5O3.Co/h69H,63-68H2;11H2;/q-2;2m/b42-23+,54-32-,55-33-;;
InChIKey: InChIKey=OAJLVMGLJZXSGX-PJGZVNHADK
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+3]
Names:
adenosylcobalamin
Calomide
Cobalamine coenzyme
Cobamamide
coenzyme B12
DBC coenzyme
Deoxyadenosylcobalamin
Dibencozide
Funacomide
Vitamin B12 coenzyme
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Registries:
pre_registry_key( "InChI=1/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;-1;+3/p-2/t31u,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1/fC62H88N13O14P.C10H12N5O3.Co/h69H,63-68H2;11H2;/q-2;2m/b42-23+,54-32-,55-33-;;", "InChIKey=OAJLVMGLJZXSGX-PJGZVNHADK", "jqp073/6436143.html" ); ?>
PubChem CID 6436143
PubChem ID 213947
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