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.
Supplier Information No supplier information found for this compound.
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Formula C58H83CoN16O14P
Net Charge -1
Average Mass 1318.28540
Monoisotopic Mass 1317.53497
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