Phosphopantetheine

CAS Registry Number®

2226-71-3

CAS Name

Phosphopantetheine

Molecular Formula

C11H23N2O7PS

Molecular Mass

358.35

Cite this Page

Phosphopantetheine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2226-71-3 (retrieved 2024-11-21) (CAS RN: 2226-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1

InChIKey

InChIKey=JDMUPRLRUUMCTL-VIFPVBQESA-N

SMILES

C([C@H](C(NCCC(NCCS)=O)=O)O)(COP(=O)(O)O)(C)C

Canonical SMILES

O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O

Other Names for this Substance

  • Butanamide, 2-hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)-, (2R)-
  • Butanamide, 2-hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)-, (R)-
  • Butyramide, 2,4-dihydroxy-N-[2-(2-mercaptoethylcarbamoyl)ethyl]-3,3-dimethyl-, 4-phosphate
  • (2R)-2-Hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)butanamide
  • 4′-Phosphopantetheine

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Deleted or Replaced CAS Registry Numbers

105974-69-4, 137044-41-8, 13147-30-3, 20548-76-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration