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Substance Name: Coenzyme A, S-propyl-
RN: 70019-69-1
InChIKey: QOSXFJDDUVQOJB-UHFFFAOYSA-N

Molecular Formula

  • C24-H42-N7-O16-P3-S

Molecular Weight

  • 809.617
 
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Names and Synonyms

Synonym

  • Propyl coenzyme A

Systematic Name

  • Coenzyme A, S-propyl-

Registry Numbers

CAS Registry Number

  • 70019-69-1

System Generated Number

  • 0070019691

Structure Descriptors

InChI

1S/C24H42N7O16P3S/c1-13(2)51-8-7-26-15(32)5-6-27-22(35)19(34)24(3,4)10-44-50(41,42)47-49(39,40)43-9-14-18(46-48(36,37)38)17(33)23(45-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)

InChIKey

QOSXFJDDUVQOJB-UHFFFAOYSA-N

Smiles

C(=O)(NCCSC(C)C)CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@@H]1[C@@H](OP(O)(=O)O)[C@@H](O)[C@@H](O1)n1cnc2c(ncnc12)N)(=O)O)(=O)O)(C)C)O)=O