Docosanoyl-CoA

CAS Registry Number®

24330-89-0
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CAS Name

Docosanoyl-CoA

Molecular Formula

C43H78N7O17P3S

Molecular Mass

1090.10

Cite this Page

Docosanoyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24330-89-0 (retrieved 2024-04-18) (CAS RN: 24330-89-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=NDDZLVOCGALPLR-GNSUAQHMSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-docosanoate
  • Docosanethioic acid, S-ester with coenzyme A
  • Behenoyl-coenzyme A
  • Behenyl-CoA
  • Docosanoyl-coenzyme A

View All

Deleted or Replaced CAS Registry Numbers

25276-26-0

CAS INSIGHTSTM
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