(Q27157782)

CHEBI:84462 (English)

9 October 2016

chemical formula

C₂₃H₄₅NO₉P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])O

1 reference

CHEBI:84462 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])O

1 reference

CHEBI:84462 (English)

InChI=1S/C23H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)31-17-20(25)18-32-34(29,30)33-19-21(24)23(27)28/h20-21,25H,2-19,24H2,1H3,(H,27,28)(H,29,30)/p-1/t20-,21+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:84462 (English)

RBXXJOPBVLMRSZ-RTWAWAEBSA-M

9 October 2016

InChIKey

2 references

CHEBI:84462 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,8R)-2-Ammonio-8-hydroxy-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaheptacosan-1-oate 5-oxide (English)

9 October 2016

2 references

CHEBI:84462 (English)

matched by identifier from

9 October 2016

InChIKey

RBXXJOPBVLMRSZ-RTWAWAEBSA-M

ChEBI ID

84462

mapping relation type

2 references

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

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)31-17-20(25)18-32-34(29,30)33-19-21(24)23(27)28/h20-21,25H,2-19,24H2,1H3,(H,27,28)(H,29,30)/p-1/t20-,21+/m1/s1

1 reference

2 references

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