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1-hexacosanoyl-2-(11E-octadecenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM363429 Image of MNXM363429
referenceslm:000253858
formulaC65H118O6
global charge0
mol weight995.653
InChIKeyPHEWLVUSCNABFC-XKFBGYTASA-N
InChIInChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,36,62H,4-7,9-10,12-16,18-19,22-23,25,27-35,37-61H2,1-3H3/b11-8-,20-17-,24-21+,36-26-/t62-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C/CCCCCC
MNX internals
InChI (mnx)InChI=1/C65H118O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,36,62H,4-7,9-10,12-16,18-19,22-23,25,27-35,37-61H2,1-3H3/b11-8-,20-17-,24-21+,36-26-/t62-/m0/s1 Image of MNXM363429
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:38][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]/[CH:36]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66])[O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:37][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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:000253858
slm:000253858
PHEWLVUSCNABFC-XKFBGYTASA-N
1-hexacosanoyl-2-(11E-octadecenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG(26:0/18:1(11E)/18:3(9Z,12Z,15Z))
Triacylglycerol (26:0/18:1(11E)/18:3(9Z,12Z,15Z))