(Q27115797)

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

6 October 2016

chemical formula

C₄₀H₇₈O₁₃P₂

1 reference

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

6 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC

1 reference

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

6 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

1 reference

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-

6 October 2016

Identifiers

InChI

1 reference

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

BKRKPWQBIFVASS-ZCXUNETKSA-N

6 October 2016

InChIKey

2 references

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22lambda~5~,28lambda~5~-diphosphaoctacosan-19-yl (9Z)-9-octadecenoate (English)

6 October 2016

2 references

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate (English)

matched by identifier from

6 October 2016

InChIKey

BKRKPWQBIFVASS-ZCXUNETKSA-N

ChEBI ID

34081

mapping relation type

2 references

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

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-

1 reference

1 reference