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CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)

Properties

Image

Occurences in reactions

MNX_ID

MNXM122052

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

formula

C₈₅H₁₅₄O₁₇P₂

charge

mass

1509.06613

reference

hmdb:HMDB0057336

InChIKey

KHVUYQFUBOEKFP-RDESHMRSSA-N

InChI

InChI=1S/C85H154O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,37,39-41,48,52,79-81,86H,5-8,10-12,14-20,22-24,26-32,35-36,38,42-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,41-34-,52-48-/t79-,80-,81-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0057336	CL(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0) (2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecanoyloxy)propoxy((2R)-2-hydroxy-3-{[hydroxy((2R)-3-[(9Z)-octadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxy)phosphinic acid 1'-[1-Octadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol 1'-[1-Stearoyl-2-docosapentaenoyl-sn-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol CL(1'-[18:0/22:5(7Z,10Z,13Z,16Z,19Z)],3'-[18:1(9Z)/18:1(9Z)]) CL(18:0/22:5/18:1/18:1) CL(76:7) Cardiolipin(18:0/22:5/18:1/18:1) Cardiolipin(76:7) [(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecanoyloxy)propoxy][(2R)-2-hydroxy-3-({hydroxy[(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphinic acid
SLM:000519015 slm:000519015	Cardiolipin (18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0) 1'-[1-octadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho]-glycerol CL (18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0)
hmdb:HMDB57336	secondary/obsolete/fantasy identifier