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adenosylcob(III)alamin 5'-phosphate

MNXM92087 is deprecated and here replaced by MNXM741434
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM741434

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₇₂H₉₉CoN₁₈O₂₀P₂

charge

-2

mass

1656.61012

reference

chebi:60493

InChIKey

ZKESCEDFYCGFMC-OUCXYWSSSA-J

InChI

InChI=1S/C62H91N13O17P2.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(83)53(41(90-57)27-89-93(84,85)86)92-94(87,88)91-31(3)26-69-49(82)18-19-59(8)37(22-46(66)79)56-62(11)61(10,25-48(68)81)36(14-17-45(65)78)51(74-62)33(5)55-60(9,24-47(67)80)34(12-15-43(63)76)38(71-55)23-42-58(6,7)35(13-16-44(64)77)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;/h20-21,23,28,31,34-37,41,52-53,56-57,83H,12-19,22,24-27H2,1-11H3,(H17,63,64,65,66,67,68,69,71,72,73,74,76,77,78,79,80,81,82,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-4/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

SMILES

CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@@H]6[C@@H](COP(=O)([O-])[O-])O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-3]753(C[C@H]3O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]3O)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60493 chebi:60493	adenosylcob(III)alamin 5'-phosphate adenosylcobalamin 5'-phosphate(2-)
kegg.compound:C21153 keggC:C21153	Adenosylcobalamin 5'-phosphate
metacyc.compound:ADENOSYLCOBALAMIN-5-P metacycM:ADENOSYLCOBALAMIN-5-P seed.compound:cpd22240 seedM:cpd22240	adenosylcobalamin 5'-phosphate
CHEBI:49100 chebi:49100	adenosylcobalamin 5'-phosphate AdoCbl-5'P cobamamide 5'-phosphate vitamin B12 coenzyme 5'-phosphate
keggC:M_C21153 seedM:M_cpd22240	secondary/obsolete/fantasy identifier