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Substance Name: Biotin-36-dc7ATP
RN: 147958-08-5
InChIKey: KVFCXQIOGIHENX-UHFFFAOYSA-N

Molecular Formula

  • C48-H80-N9-O22-P3-S

Molecular Weight

  • 1260.189
 
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Names and Synonyms

Name of Substance

  • Biotin-36-dc7ATP

Systematic Name

  • Triphosphoric acid, P-5'-ester with N-(35-(4-amino-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)-6,13-dioxo-17,20,23,26,29,32-hexaoxa-7,14-diazapentatricont-34-yn-1-yl)hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide, (3aS-(3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 147958-08-5

System Generated Number

  • 0147958085

Structure Descriptors

InChI

1S/C48H80N9O22P3S/c49-46-44-35(31-57(47(44)54-34-53-46)43-30-37(58)38(77-43)32-76-81(66,67)79-82(68,69)78-80(63,64)65)10-9-18-70-20-22-72-24-26-74-28-29-75-27-25-73-23-21-71-19-17-52-42(61)13-4-2-8-15-50-40(59)12-3-1-7-16-51-41(60)14-6-5-11-39-45-36(33-83-39)55-48(62)56-45/h31,34,36-39,43,45,58H,1-8,11-30,32-33H2,(H,50,59)(H,51,60)(H,52,61)(H,66,67)(H,68,69)(H2,49,53,54)(H2,55,56,62)(H2,63,64,65)

InChIKey

KVFCXQIOGIHENX-UHFFFAOYSA-N

Smiles

c1c(c2c(ncnc2n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5