(Q27225354)

hexanoyl-4'-phosphopantetheine (English)

12 October 2016

chemical formula

C₁₇H₃₁N₂O₈PS²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

hexanoyl-4'-phosphopantetheine (English)

12 October 2016

isomeric SMILES

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

1 reference

hexanoyl-4'-phosphopantetheine (English)

InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/p-2/t15-/m0/s1

12 October 2016

Identifiers

InChI

1 reference

hexanoyl-4'-phosphopantetheine (English)

KGMBPSVUBJAAEN-HNNXBMFYSA-L

12 October 2016

InChIKey

2 references

hexanoyl-4'-phosphopantetheine (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

hexanoyl-4'-phosphopantetheine (English)

matched by identifier from

12 October 2016

InChIKey

KGMBPSVUBJAAEN-HNNXBMFYSA-L

ChEBI ID

132012

mapping relation type

2 references

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