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1-butanoyl-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM343842 Image of MNXM343842
referenceslm:000041426
formulaC46H82O10P
global charge-1
mol weight826.126
InChIKeyILSFTLHMGAIIRD-IIWGYXIWSA-M
InChIInChI=1S/C46H83O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-46(50)56-44(41-53-45(49)37-4-2)42-55-57(51,52)54-40-43(48)39-47/h8-9,11-12,14-15,17-18,43-44,47-48H,3-7,10,13,16,19-42H2,1-2H3,(H,51,52)/p-1/b9-8-,12-11-,15-14-,18-17-/t43-,44+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C46H83O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-46(50)56-44(41-53-45(49)37-4-2)42-55-57(51,52)54-40-43(48)39-47/h8-9,11-12,14-15,17-18,43-44,47-48H,3-7,10,13,16,19-42H2,1-2H3,(H,51,52)/b9-8-,12-11-,15-14-,18-17-/t43-,44+/m0/s1 Image of MNXM343842
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][C:46](=[O:50])[O:56][C@H:44]([CH2:41][O:53][C:45]([CH2:37][CH2:4][CH3:2])=[O:49])[CH2:42][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:40][C@H:43]([CH2:39][OH:47])[OH:48]
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:000041426
slm:000041426
ILSFTLHMGAIIRD-IIWGYXIWSA-M
1-butanoyl-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(4:0/36:4(21Z,24Z,27Z,30Z))
Phosphatidylglycerol (4:0/36:4(21Z,24Z,27Z,30Z))