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Substance Name: Formyl-coenzyme A
RN: 13131-49-2
InChIKey: SXMOKYXNAPLNCW-GORZOVPNSA-N

Molecular Formula

  • C22-H36-N7-O17-P3-S

Molecular Weight

  • 795.5464
 
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Names and Synonyms

Name of Substance

  • Formyl-coenzyme A

Synonym

  • Formyl-CoA

Systematic Name

  • Coenzyme A, S-formate

Registry Numbers

CAS Registry Number

  • 13131-49-2

System Generated Number

  • 0013131492

Structure Descriptors

InChI

1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1

InChIKey

SXMOKYXNAPLNCW-GORZOVPNSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O