1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycerol 3-(2-trimethylaminoethylphosphonate) (Q27115799)

AC1NQZT1 (English)

6 October 2016

C₄₂H₈₃NO₇P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)CCCCCCCC=CCCCCCCCC

1 reference

AC1NQZT1 (English)

6 October 2016

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

1 reference

InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)50-40(39-49-51(46,47)37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-

AC1NQZT1 (English)

retrieved

6 October 2016

Identifiers

InChI

1 reference

FZBQJTJKBOUFOT-MRCUWXFGSA-O

AC1NQZT1 (English)

6 October 2016

2 references

AC1NQZT1 (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

2-(Hydroxy{2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propoxy}phosphoryl)-N,N,N-trimethylethanaminium (English)

6 October 2016

2 references

matched by identifier from

AC1NQZT1 (English)

retrieved

6 October 2016

InChIKey

FZBQJTJKBOUFOT-MRCUWXFGSA-O

ChEBI ID

34084

mapping relation type

2 references

matched by identifier from

1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycerol 3-(2-trimethylaminoethylphosphonate) (English)

retrieved

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)50-40(39-49-51(46,47)37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-

1 reference

1 reference