CHEBI:60493 - adenosylcobalamin 5'-phosphate(2−)

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ChEBI Name adenosylcobalamin 5'-phosphate(2−)
ChEBI ID CHEBI:60493
ChEBI ASCII Name adenosylcobalamin 5'-phosphate(2-)
Definition The conjugate base of adenosylcobalamin 5'-phosphate, formed by loss of two protons from the 5'-phosphate group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C72H99CoN18O20P2
Net Charge -2
Average Mass 1657.54580
Monoisotopic Mass 1656.61012
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
InChIKey ZKESCEDFYCGFMC-OUCXYWSSSA-J
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](COP([O-])([O-])=O)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
ChEBI Ontology
Outgoing adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493) is a alkylcob(III)alamin (CHEBI:140785)
adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493) is a organophosphate oxoanion (CHEBI:58945)
adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493) is conjugate base of adenosylcobalamin 5'-phosphate (CHEBI:49100)
Incoming adenosylcobalamin 5'-phosphate (CHEBI:49100) is conjugate acid of adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493)
Synonym Source
adenosylcob(III)alamin 5'-phosphate UniProt
Last Modified
05 March 2014