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CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM121292

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

formula

C₈₅H₁₄₀O₁₇P₂

charge

mass

1494.95658

reference

hmdb:HMDB0057535

InChIKey

IPNBKAMMGVNJMM-OMEGRXNUSA-N

InChI

InChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h10,14,21-22,25-28,31-36,39-42,47-48,50,52,58,60,62,64,79-81,86H,5-9,11-13,15-20,23-24,29-30,37-38,43-46,49,51,53-57,59,61,63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,62-58-,64-60-/t79-,80+,81+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0057535	CL(16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (2S)-3-{[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propoxy)phosphinic acid 1'-[1,2-Di(9Z-hexadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol 1'-[1,2-Dipalmitoleoyl-rac-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol CL(1'-[16:1(9Z)/16:1(9Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)]) CL(16:1/16:1/22:5/22:5) CL(76:12) Cardiolipin(16:1/16:1/22:5/22:5) Cardiolipin(76:12) [(2S)-3-({[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propoxy]phosphinic acid
SLM:000537686 slm:000537686	Cardiolipin (16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1'-[1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol CL (16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
hmdb:HMDB57535	secondary/obsolete/fantasy identifier