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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H74NO8P
Molecular Weight 836.0875
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 12
Charge 0

SHOW SMILES / InChI
Structure of 1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

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)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

InChI

InChIKey=RBDNSJMXMWTPCS-NYUVKXDYSA-N
InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1

HIDE SMILES / InChI

Molecular Formula C49H74NO8P
Molecular Weight 836.0875
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 12
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:07 UTC 2023
Edited
by admin
on Sat Dec 16 07:59:07 UTC 2023
Record UNII
146IH66H58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Common Name English
4,7,10,13,16,19-DOCOSAHEXAENOIC ACID, 1,1'-((1R)-1-((((2-AMINOETHOXY)HYDROXYPHOSPHINYL)OXY)METHYL)-1,2-ETHANEDIYL) ESTER, (4Z,4'Z,7Z,7'Z,10Z,10'Z,13Z,13'Z,16Z,16'Z,19Z,19'Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9546797
Created by admin on Sat Dec 16 07:59:07 UTC 2023 , Edited by admin on Sat Dec 16 07:59:07 UTC 2023
PRIMARY
CAS
123284-81-1
Created by admin on Sat Dec 16 07:59:07 UTC 2023 , Edited by admin on Sat Dec 16 07:59:07 UTC 2023
PRIMARY
FDA UNII
146IH66H58
Created by admin on Sat Dec 16 07:59:07 UTC 2023 , Edited by admin on Sat Dec 16 07:59:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID101211388
Created by admin on Sat Dec 16 07:59:07 UTC 2023 , Edited by admin on Sat Dec 16 07:59:07 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY