(Q27225530)

decanoyl-4'-phosphopantetheine (English)

12 October 2016

chemical formula

C₂₁H₄₁N₂O₈PS

1 reference

decanoyl-4'-phosphopantetheine (English)

12 October 2016

canonical SMILES

CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O

1 reference

decanoyl-4'-phosphopantetheine (English)

12 October 2016

isomeric SMILES

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

1 reference

decanoyl-4'-phosphopantetheine (English)

InChI=1S/C21H41N2O8PS/c1-4-5-6-7-8-9-10-11-18(25)33-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-31-32(28,29)30/h19,26H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H2,28,29,30)/t19-/m0/s1

12 October 2016

Identifiers

InChI

1 reference

decanoyl-4'-phosphopantetheine (English)

WBQLWGUAQDSZRE-IBGZPJMESA-N

12 October 2016

InChIKey

2 references

decanoyl-4'-phosphopantetheine (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

S-[2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] decanethioate (English)

12 October 2016

2 references

decanoyl-4'-phosphopantetheine (English)

matched by identifier from

12 October 2016

InChIKey

WBQLWGUAQDSZRE-IBGZPJMESA-N

ChEBI ID

132313

mapping relation type

2 references

S-decanoyl-4'-phosphopantetheine (English)