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CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM120960

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

formula

C₈₇H₁₄₈O₁₇P₂

charge

mass

1527.01918

reference

hmdb:HMDB0056682

InChIKey

OIUCIALADRAXHS-NUSWXVQDSA-N

InChI

InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h21-22,25-26,33-37,40-44,48,50,52,54,60,62,64,66,81-83,88H,5-20,23-24,27-32,38-39,45-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,52-48-,54-50-,64-60-,66-62-/t81-,82+,83+/m0/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0056682	CL(16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propoxy((2S)-3-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid 1'-[1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol 1'-[1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol CL(1'-[16:0/18:1(9Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)]) CL(16:0/18:1/22:5/22:5) CL(78:11) Cardiolipin(16:0/18:1/22:5/22:5) Cardiolipin(78:11) [(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propoxy][(2S)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid
SLM:000516723 slm:000516723	Cardiolipin (16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1'-[1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol CL (16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
hmdb:HMDB56682	secondary/obsolete/fantasy identifier