adenosyl-cobinamide phosphate

Chemical Formula:

C₅₈H₈₃N₁₆O₁₄PCO

Molecular Weight:

1318.296 Daltons

Monoisotopic Mass:

1319.5500782311 Daltons

SMILES:

CC(OP([O-])(=O)[O-])CNC(=O)CCC5(C)(C(CC(=O)N)C7(C%11(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co--]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67))(CC8(C(C(O)C(O8)N9(C=NC%10(=C9N=CN=C%10N)))O)))%11))))

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

Synonyms

adenosylcobinamide-P

Databases

MetaCyc: ADENOSYLCOBINAMIDE-P

BiGG: adocbip

PubChem (CID): 70678575

HMDB: HMDB12184

ChEBI: 58502

KEGG: C06509

Seed: cpd03919

MetaNetX: MNXM856