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

ChEBI IDCHEBI:60493
ChEBI Nameadenosylcobalamin 5'-phosphate(2−)
Stars
ASCII Nameadenosylcobalamin 5'-phosphate(2-)
DefinitionThe conjugate base of adenosylcobalamin 5'-phosphate, formed by loss of two protons from the 5'-phosphate group.
Last Modified5 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC72H99CoN18O20P2
Net Charge-2
Average Mass1657.571
Monoisotopic Mass1656.61012
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](O)[C@H](O[C@@H]4COP(=O)([O-])[O-])n4c[n+](c5cc(C)c(C)cc54)[Co-3]456([CH2][C@H]7O[C@@H](n8cnc9c(N)ncnc98)[C@H](O)[C@@H]7O)[N]1C3=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
InChIInChI=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
InChIKeyZKESCEDFYCGFMC-OUCXYWSSSA-J
Roles Classification
Biological Roles:
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493) is a organophosphate oxoanion (CHEBI:58945)
adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493) is a R-cob(III)alamin (CHEBI:140785)
adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493) is conjugate base of adenosylcobalamin 5'-phosphate (CHEBI:49100)
Incoming Relation(s)
adenosylcobalamin 5'-phosphate (CHEBI:49100) is conjugate acid of adenosylcobalamin 5'-phosphate(2−) (CHEBI:60493)
UniProt Name  Source
adenosylcob(III)alamin 5'-phosphateUniProt