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1-(13Z-docosenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-octadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM135504 Image of MNXM135504
referenceslm:000232816
formulaC63H110O6
global charge0
mol weight963.567
InChIKeyBHSZPPTYGRFCSI-AWMQCPORSA-N
InChIInChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-24,27,30-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,39-36-,48-45-/t60-/m0/s1 Image of MNXM135504
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:36]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66]
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:000232816
slm:000232816
BHSZPPTYGRFCSI-AWMQCPORSA-N
1-(13Z-docosenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-octadecanoyl-sn-glycerol
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
Triacylglycerol (22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
hmdb:HMDB0045380
BHSZPPTYGRFCSI-AWMQCPORSA-N
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
(2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(octadecanoyloxy)propyl (13Z)-docos-13-enoate
1-Octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(13Z-docosenoyl)-glycerol
1-Stearoyl-2-eicosapentaenoyl-3-erucoyl-glycerol
TAG(18:0/20:5/22:1)
TAG(60:6)
TG(18:0/20:5/22:1)
TG(60:6)
Tracylglycerol(18:0/20:5/22:1)
Tracylglycerol(60:6)
Triacylglycerol
Triglyceride

hmdb:HMDB45380
secondary/obsolete/fantasy identifier