N-oleoyl-sn-glycero-3-phosphoethanolamine(1-) (Q27158419)

N-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (English)

9 October 2016

chemical formula

C₂₃H₄₅NO₇P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)([O-])OCC(CO)O

1 reference

N-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (English)

9 October 2016

isomeric SMILES

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

1 reference

N-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (English)

InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)24-18-19-30-32(28,29)31-21-22(26)20-25/h9-10,22,25-26H,2-8,11-21H2,1H3,(H,24,27)(H,28,29)/p-1/b10-9-/t22-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

N-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (English)

VBNXVCGZJCGEKO-MZMPXXGTSA-M

9 October 2016

InChIKey

2 references

N-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2,3-Dihydroxypropyl 2-[(9Z)-9-octadecenoylamino]ethyl phosphate (English)

9 October 2016

2 references

N-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (English)

matched by identifier from

9 October 2016

InChIKey

VBNXVCGZJCGEKO-MZMPXXGTSA-M

ChEBI ID

85229

mapping relation type

2 references

N-oleoyl-sn-glycero-3-phosphoethanolamine(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)24-18-19-30-32(28,29)31-21-22(26)20-25/h9-10,22,25-26H,2-8,11-21H2,1H3,(H,24,27)(H,28,29)/p-1/b10-9-/t22-/m1/s1

1 reference

2 references

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