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Substance Name: Behenyl-coenzyme A
RN: 24330-89-0
InChIKey: NDDZLVOCGALPLR-GNSUAQHMSA-N

Molecular Formula

  • C43-H78-N7-O17-P3-S

Molecular Weight

  • 1090.11
 
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Names and Synonyms

Name of Substance

  • Behenyl-coenzyme A

Synonyms

  • Behenyl-coa
  • Coenzyme A, behenyl-

Systematic Name

  • Coenzyme A, S-docosanoate

Registry Numbers

CAS Registry Number

  • 24330-89-0

System Generated Number

  • 0024330890

Structure Descriptors

InChI

1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38+,42-/m1/s1

InChIKey

NDDZLVOCGALPLR-GNSUAQHMSA-N

Smiles

OP(O)(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(ncnc23)N)O[C@@H]1CO[P@@](O[P@@](O)(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCCCCCCCCCCCCCCCCCCCC)=O)=O)O)C)=O)(=O)O