(Q27158466)

CHEBI:85297 (English)

9 October 2016

chemical formula

C₄₅H₈₃NO₉P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

1 reference

CHEBI:85297 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

1 reference

CHEBI:85297 (English)

InChI=1S/C45H84NO9P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-34-37-45(49)55-42(41-54-56(50,51)53-39-38-46-43(47)35-32-9-6-3)40-52-44(48)36-33-30-28-26-24-22-19-17-15-13-11-8-5-2/h14,16,20-21,42H,4-13,15,17-19,22-41H2,1-3H3,(H,46,47)(H,50,51)/p-1/b16-14-,21-20-/t42-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:85297 (English)

YJVXUQCRPJIOON-UXSLIEDSSA-M

9 October 2016

InChIKey

2 references

CHEBI:85297 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-(Hexanoylamino)ethyl (2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(palmitoyloxy)propyl phosphate (English)

9 October 2016

2 references

CHEBI:85297 (English)

matched by identifier from

9 October 2016

InChIKey

YJVXUQCRPJIOON-UXSLIEDSSA-M

ChEBI ID

85297

mapping relation type

2 references

N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C45H84NO9P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-34-37-45(49)55-42(41-54-56(50,51)53-39-38-46-43(47)35-32-9-6-3)40-52-44(48)36-33-30-28-26-24-22-19-17-15-13-11-8-5-2/h14,16,20-21,42H,4-13,15,17-19,22-41H2,1-3H3,(H,46,47)(H,50,51)/p-1/b16-14-,21-20-/t42-/m1/s1

1 reference

2 references

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