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Substance Name: N-(3-Iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-coenzyme A
RN: 121368-75-0
InChIKey: INNXFTJYJFYUQJ-FLQPUNRMSA-N

Note

  • Labels beef heart mitochondrial ADP-ATP carrier.

Molecular Formula

  • C33-H47-I-N11-O19-P3-S2

Molecular Weight

  • 1185.7463
 
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Names and Synonyms

Name of Substance

  • N-(3-Iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-coenzyme A

Synonyms

  • Act-CoA
  • Coenzyme A, N-(3-iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-

Systematic Name

  • L-Alanine, N-(3-(4-azido-3-iodophenyl)-1-oxopropyl)-3-((9,13-dihydroxy-10,10-dimethyl-4,8-dioxo-13-((3'-O-phosphono-5'-adenylyl)oxy)-12-oxa-3,7-diaza-13-phosphatridec-1-yl)dithio)-, P-oxide, (R)-

Registry Numbers

CAS Registry Number

  • 121368-75-0

System Generated Number

  • 0121368750

Structure Descriptors

InChI

1S/C33H47IN11O19P3S2/c1-2-3-4-21(24(32(50)51)42-23(47)8-6-17-5-7-19(43-44-36)18(34)13-17)69-68-12-11-37-22(46)9-10-38-30(49)33(52)65(53,54)63-64-67(58,59)60-14-20-27(62-66(55,56)57)26(48)31(61-20)45-16-41-25-28(35)39-15-40-29(25)45/h5,7,13,15-16,20-21,24,26-27,31,33,48,52H,2-4,6,8-12,14H2,1H3,(H,37,46)(H,38,49)(H,42,47)(H,50,51)(H,53,54)(H,58,59)(H2,35,39,40)(H2,55,56,57)/t20-,21?,24+,26-,27-,31-,33-/m1/s1

InChIKey

INNXFTJYJFYUQJ-FLQPUNRMSA-N

Smiles

CCCCC([C@@H](C(=O)O)NC(=O)CCc1ccc(c(c1)I)N=[N+]=[N-])SSCCNC(=O)CCNC(=O)[C@H](O)P(=O)(O)OOP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O