(Q27158434)

CHEBI:85250 (English)

9 October 2016

chemical formula

C₂₇H₄₃NO₇P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCOP(=O)([O-])OCC(CO)O

1 reference

CHEBI:85250 (English)

9 October 2016

isomeric SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](CO)O

1 reference

CHEBI:85250 (English)

InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-22-23-34-36(32,33)35-25-26(30)24-29/h3-4,6-7,9-10,12-13,15-16,18-19,26,29-30H,2,5,8,11,14,17,20-25H2,1H3,(H,28,31)(H,32,33)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:85250 (English)

YLEKZMUIJDSEKO-PAUXXPOVSA-M

9 October 2016

InChIKey

2 references

CHEBI:85250 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2,3-Dihydroxypropyl 2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoylamino]ethyl phosphate (English)

9 October 2016

2 references

CHEBI:85250 (English)

matched by identifier from

9 October 2016

InChIKey

YLEKZMUIJDSEKO-PAUXXPOVSA-M

ChEBI ID

85250

mapping relation type

2 references

N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-22-23-34-36(32,33)35-25-26(30)24-29/h3-4,6-7,9-10,12-13,15-16,18-19,26,29-30H,2,5,8,11,14,17,20-25H2,1H3,(H,28,31)(H,32,33)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1

1 reference

2 references

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