(Q27147786)

PC(O-16:0/4:0) (English)

8 October 2016

chemical formula

C₂₈H₅₈NO₇P

1 reference

PC(O-16:0/4:0) (English)

8 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC

1 reference

PC(O-16:0/4:0) (English)

8 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC

1 reference

PC(O-16:0/4:0) (English)

InChI=1S/C28H58NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(36-28(30)21-7-2)26-35-37(31,32)34-24-22-29(3,4)5/h27H,6-26H2,1-5H3/t27-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

PC(O-16:0/4:0) (English)

UVHUBDICYDPLIO-HHHXNRCGSA-N

8 October 2016

InChIKey

2 references

PC(O-16:0/4:0) (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-(Butyryloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate (English)

8 October 2016

2 references

PC(O-16:0/4:0) (English)

matched by identifier from

8 October 2016

InChIKey

UVHUBDICYDPLIO-HHHXNRCGSA-N

Reaxys registry number

15471643

1 reference

1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine (English)

8 October 2016

ChEBI ID

78368

mapping relation type

2 references

1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H58NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(36-28(30)21-7-2)26-35-37(31,32)34-24-22-29(3,4)5/h27H,6-26H2,1-5H3/t27-/m1/s1

1 reference

0 references

0 references

2 references

https://www.swisslipids.org/#/downloads