(Q27157785)

CHEBI:84466 (English)

9 October 2016

chemical formula

C₄₂H₇₇NO₁₀P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC

1 reference

CHEBI:84466 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

1 reference

CHEBI:84466 (English)

InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38-39H,3-11,13,15-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b14-12-,20-18-/t38-,39+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:84466 (English)

AGTPCXBHIGMTEU-NREGDSCDSA-M

9 October 2016

InChIKey

2 references

CHEBI:84466 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,8R)-2-Ammonio-8-[(9Z,12Z)-9,12-octadecadienoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacosan-1-oate 5-oxide (English)

9 October 2016

2 references

CHEBI:84466 (English)

matched by identifier from

9 October 2016

InChIKey

AGTPCXBHIGMTEU-NREGDSCDSA-M

ChEBI ID

84466

mapping relation type

2 references

1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38-39H,3-11,13,15-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b14-12-,20-18-/t38-,39+/m1/s1

1 reference

2 references

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