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Substance Name: Acetyl-dephospho-coa
RN: 31664-34-3
InChIKey: XEFUABMMGJVHSD-ZSJPKINUSA-N

Molecular Weight

  • 729.594
 
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Names and Synonyms

Name of Substance

  • Acetyl-dephospho-coa

Synonym

  • Acetyl-dephospho-coenzyme A

Systematic Name

  • Coenzyme A, 3'-O-dephosphono-, S-acetate

Registry Numbers

CAS Registry Number

  • 31664-34-3

System Generated Number

  • 0031664343

Structure Descriptors

InChI

1S/C23H37N7O14P2S/c1-12(31)47-7-6-25-14(32)4-5-26-21(36)18(35)23(2,3)9-42-46(39,40)44-45(37,38)41-8-13-16(33)17(34)22(43-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-35H,4-9H2,1-3H3,(H,25,32)(H,26,36)(H,37,38)(H,39,40)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1

InChIKey

XEFUABMMGJVHSD-ZSJPKINUSA-N

Smiles

O[C@H]1[C@@H](O)[C@H](n2c3ncnc(N)c3nc2)O[C@@H]1CO[P@@](=O)(O)O[P@@](=O)(O)OCC(C)(C)[C@H](C(NCCC(NCCSC(C)=O)=O)=O)O