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Substance Name: 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine
RN: 99296-81-8
UNII: T82NM81DCA
InChIKey: XLKQWAMTMYIQMG-SVUPRYTISA-N

Molecular Formula

  • C52-H80-N-O8-P

Molecular Weight

  • 878.177
 
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Names and Synonyms

Name of Substance

  • 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine

Synonyms

  • 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine
  • 3,5,9-Trioxa-4-phosphahentriaconta-13,16,19,22,25,28-hexaen-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaenyl)oxy)-, inner salt, 4-oxide, (7R,13Z,16Z,19Z,22Z,25Z,28Z)-
  • UNII-T82NM81DCA

Registry Numbers

CAS Registry Number

  • 99296-81-8

FDA UNII

  • T82NM81DCA

System Generated Number

  • 0099296818

Structure Descriptors

InChI

1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1

InChIKey

XLKQWAMTMYIQMG-SVUPRYTISA-N

Smiles

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC