(Q82664826)

English

(7R)-7-[(Hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphaoctacosa-13,16,19,22,25-pentaen-1-aminium

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine

1 reference

based on heuristic

inferred from SMILES

mass

766.5745169820901 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₄H₈₁NO₇P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/p+1/t43-/m1/s1

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InChIKey

YHSSHPWVFALMBA-VZUYHUTRSA-O

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2 references

26 December 2021

matched by identifier from

InChIKey

YHSSHPWVFALMBA-VZUYHUTRSA-O

1 reference

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DSSTOX compound identifier

DTXCID80675336

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(Q82664826)

(7R)-7-[(Hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphaoctacosa-13,16,19,22,25-pentaen-1-aminium

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