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Substance Name: Adenosylcobinamide methyl phosphate
RN: 147736-07-0
InChIKey: CGSLOOBHAHVNGB-UHFFFAOYSA-M

Molecular Formula

  • C59-H86-Co-N16-O14-P

Molecular Weight

  • 1332.33
 
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Names and Synonyms

Name of Substance

  • Adenosylcobinamide methyl phosphate

Synonyms

  • Adocbi-pme
  • Cobinamide, Co-(5'-deoxyadenosine-5') deriv, methyl hydrogen phosphate (ester), inner salt

Systematic Name

  • Cobinamide, Co-(5'-deoxyadenosin-5'-yl)-, methyl hydrogen phosphate (ester), inner salt

Registry Numbers

CAS Registry Number

  • 147736-07-0

System Generated Number

  • 0147736070

Structure Descriptors

InChI

1S/C49H74N11O11P.C10H12N5O3.Co/c1-24-39-27(12-15-33(51)62)44(3,4)31(58-39)20-30-26(11-14-32(50)61)46(6,21-36(54)65)42(57-30)25(2)40-28(13-16-34(52)63)47(7,22-37(55)66)49(9,60-40)43-29(19-35(53)64)45(5,41(24)59-43)18-17-38(67)56-23-48(8)70-72(68,69-10)71-48;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20,26-29,43H,11-19,21-23H2,1-10H3,(H14,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-1

InChIKey

CGSLOOBHAHVNGB-UHFFFAOYSA-M

Smiles

[Co+3].O1[C@@H]([C@@H]([C@@H]([C@@H]1n1c2c(nc1)c(ncn2)N)O)O)[CH2-].N1=C2[C@@H](CCC(N)=O)[C@@]([C@@]1([C@@H]1[C@@H](CC(N)=O)[C@@](C([N-]1)=C(C=1[C@@H](CCC(N)=O)C(C(N1)=CC1=NC(=C2C)[C@@]([C@@H]1CCC(N)=O)(CC(N)=O)C)(C)C)C)(CCC(NCC1(OP(O1)(=O)OC)C)=O)C)C)(C)CC(=O)N