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1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z-docosenoyl)-3-docosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM141895 Image of MNXM141895
referenceslm:000254020
formulaC65H118O6
global charge0
mol weight995.653
InChIKeyXOGPDHSOFOHQHE-RJDBVKPPSA-N
InChIInChI=1S/C65H118O6/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/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-/t62-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H118O6/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/h18,21,26-27,29,36,42,45,62H,4-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b21-18-,29-26-,36-27-,45-42-/t62-/m1/s1 Image of MNXM141895
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]/[CH:45]=[CH:42]\[CH2:39]/[CH:36]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66])[O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][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:000254020
slm:000254020
XOGPDHSOFOHQHE-RJDBVKPPSA-N 		1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z-docosenoyl)-3-docosanoyl-sn-glycerol
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:0)
Triacylglycerol (18:3(6Z,9Z,12Z)/22:1(13Z)/22:0)
hmdb:HMDB0046592
XOGPDHSOFOHQHE-RJDBVKPPSA-N 		TG(22:0/22:1(13Z)/18:3(6Z,9Z,12Z))
(2S)-1-(docosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (13Z)-docos-13-enoate
1-Behenoyl-2-erucoyl-3-g-linolenoyl-glycerol
1-Docosanoyl-2-(13Z-docosenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
TAG(22:0/22:1/18:3)
TAG(62:4)
TG(22:0/22:1/18:3)
TG(62:4)
Tracylglycerol(22:0/22:1/18:3)
Tracylglycerol(62:4)
Triacylglycerol
Triglyceride

hmdb:HMDB46592 		secondary/obsolete/fantasy identifier