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CL(18:2(9Z,12Z)/18:2(9Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM1112364

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

formula

C₈₅H₁₄₂O₁₇P₂

charge

mass

1496.97223

reference

hmdb:HMDB0111752

InChIKey

KKEVVTHUJIVFHV-PSGZEVMXSA-N

InChI

InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-23,25-28,32-38,41-44,46,48,54,56,58,60,79-81,86H,5-20,24,29-31,39-40,45,47,49-53,55,57,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,58-54-,60-56-/t79-,80+,81+/m0/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C=C/CCCCCC)OC(=O)CCC/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:HMDB0111752	CL(18:2(9Z,12Z)/18:2(9Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid [(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid [(2S)-2-Hydroxy-3-({hydroxy[(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(5Z,8Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinate