(Q27158555)

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

9 October 2016

chemical formula

C₂₂H₄₆NO₇P

1 reference

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

9 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O

1 reference

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O

1 reference

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

9 October 2016

1 reference

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

9 October 2016

1 reference

2-Ammonioethyl (2R)-3-(heptadecanoyloxy)-2-hydroxypropyl phosphate (English)

9 October 2016

2 references

1-heptadecanoyl-glycero-3-phosphoethanolamine (English)

9 October 2016

86583376

1 reference

ChEBI ID

85409

mapping relation type

3 references

1-heptadecanoyl-sn-glycero-3-phosphoethanolamine (English)

9 October 2016

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1

84490

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1

1 reference

splash10-004i-0009000000-9d4f0630d06fed70915a

0 references

splash10-0002-0009000000-3c161fcee3f5ac5e20b4

0 references

Human Metabolome Database ID

HMDB0061691

2 references

based on heuristic

inferred from InChIKey

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

0 references

2 references

6 November 2021