CHEBI:58502 - adenosylcobinamide phosphate(1−)

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ChEBI Name adenosylcobinamide phosphate(1−)
ChEBI ID CHEBI:58502
ChEBI ASCII Name adenosylcobinamide phosphate(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of adenosylcobinamide phosphate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C58H83CoN16O14P
Net Charge -1
Average Mass 1318.28540
Monoisotopic Mass 1317.534
InChI 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-3/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1
InChIKey MQCMBMUJJHSGIF-QMUWONGRSA-K
SMILES C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N3C1=C(C)C1=[N+]4C(=CC5=[N+]6C(=C(C)C7=[N+]([C@]2(C)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)[Co--]346C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing adenosylcobinamide phosphate(1−) (CHEBI:58502) is a organophosphate oxoanion (CHEBI:58945)
adenosylcobinamide phosphate(1−) (CHEBI:58502) is conjugate base of adenosylcobinamide phosphate (CHEBI:2481)
Incoming adenosylcobinamide phosphate (CHEBI:2481) is conjugate acid of adenosylcobinamide phosphate(1−) (CHEBI:58502)
Synonym Source
adenosylcob(III)inamide phosphate UniProt
Last Modified
05 March 2014