(Q27225357)

dodecanoyl-4'-phosphopantetheine (English)

12 October 2016

chemical formula

C₂₃H₄₃N₂O₈PS²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])[O-])O

1 reference

dodecanoyl-4'-phosphopantetheine (English)

12 October 2016

isomeric SMILES

CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])[O-])O

1 reference

dodecanoyl-4'-phosphopantetheine (English)

InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/p-2/t21-/m0/s1

12 October 2016

Identifiers

InChI

1 reference

dodecanoyl-4'-phosphopantetheine (English)

MVHUOSAYFQKAMT-NRFANRHFSA-L

12 October 2016

InChIKey

2 references

dodecanoyl-4'-phosphopantetheine (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

dodecanoyl-4'-phosphopantetheine (English)

matched by identifier from

12 October 2016

InChIKey

MVHUOSAYFQKAMT-NRFANRHFSA-L

ChEBI ID

132015

mapping relation type

2 references

S-dodecanoyl-4'-phosphopantetheine(2-) (English)