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1-docosanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-octadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM135638 Image of MNXM135638
referenceslm:000252586
formulaC65H116O6
global charge0
mol weight993.637
InChIKeyVFTPXTMHINLVHW-KDACSJFDSA-N
InChIInChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,33,35,41,44,50,53,62H,4-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,33,35,41,44,50,53,62H,4-16,18-19,21-25,27-28,30-32,34,36-40,42-43,45-49,51-52,54-61H2,1-3H3/b20-17-,29-26-,35-33-,44-41-,53-50-/t62-/m0/s1 Image of MNXM135638
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:64](=[O:67])[O:70][CH2:61][C@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66])[O:71][C:65]([CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000252586
slm:000252586
VFTPXTMHINLVHW-KDACSJFDSA-N
1-docosanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-octadecanoyl-sn-glycerol
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
Triacylglycerol (22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
hmdb:HMDB0045264
VFTPXTMHINLVHW-KDACSJFDSA-N
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)
(2S)-1-(docosanoyloxy)-3-(octadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-docosanoyl-glycerol
1-Stearoyl-2-osbondoyl-3-behenoyl-glycerol
TAG(18:0/22:5/22:0)
TAG(62:5)
TG(18:0/22:5/22:0)
TG(62:5)
Tracylglycerol(18:0/22:5/22:0)
Tracylglycerol(62:5)
Triacylglycerol
Triglyceride

hmdb:HMDB45264
secondary/obsolete/fantasy identifier