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1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-pentadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM946860

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₆₈H₁₁₅NO₉P

charge

-1

mass

1120.83149

reference

slm:000639245

InChIKey

CSVBEGKNGKIPEC-XQNJNJSYSA-M

InChI

InChI=1S/C68H116NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-40-42-45-47-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-48-44-24-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-43-41-39-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,32-33,35-36,39,65H,4-6,9,12-15,18,21-24,28,31,34,37-38,40-64H2,1-3H3,(H,69,70)(H,73,74)/p-1/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,33-32-,36-35-,39-26-/t65-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000639245 slm:000639245	1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-pentadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine N-(9Z,12Z,15Z-octadecatrienoyl)-1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine NAPE (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/15:0/18:3(9Z,12Z,15Z))