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TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))

PropertiesImage
MNX_IDMNXM134851 Image of MNXM134851
referencechebi:184836
formulaC59H102O6
global charge0
mol weight907.459
InChIKeyKRLHDGYVWBZNFC-RELIOVOPSA-N
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,38,56H,4-15,17-18,20,22-23,28,32-34,36-37,39-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,38,56H,4-15,17-18,20,22-23,28,32-34,36-37,39-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1 Image of MNXM134851
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32]/[CH:35]=[CH:38]\[CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][C@@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61]
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

CHEBI:184836
chebi:184836
KRLHDGYVWBZNFC-RELIOVOPSA-N
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

SLM:000190460
slm:000190460
KRLHDGYVWBZNFC-RELIOVOPSA-N
1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
Triacylglycerol (18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
hmdb:HMDB0048877
KRLHDGYVWBZNFC-RELIOVOPSA-N
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(9Z-Hexadecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(9Z-octadecenoyl)-glycerol
1-Palmitoleoyl-2-adrenoyl-3-oleoyl-glycerol
TAG(16:1/22:4/18:1)
TAG(56:6)
TG(16:1/22:4/18:1)
TG(56:6)
Tracylglycerol(16:1/22:4/18:1)
Tracylglycerol(56:6)
Triacylglycerol
Triglyceride

hmdb:HMDB48877
secondary/obsolete/fantasy identifier