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1-butanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM343884 Image of MNXM343884
referenceslm:000041429
formulaC32H50O10P
global charge-1
mol weight625.716
InChIKeyVLEXCAQSBMQLME-QGHIAOFQSA-M
InChIInChI=1S/C32H51O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32(36)42-30(27-39-31(35)23-4-2)28-41-43(37,38)40-26-29(34)25-33/h5-6,8-9,11-12,14-15,17-18,20-21,29-30,33-34H,3-4,7,10,13,16,19,22-28H2,1-2H3,(H,37,38)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t29-,30+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C32H51O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32(36)42-30(27-39-31(35)23-4-2)28-41-43(37,38)40-26-29(34)25-33/h5-6,8-9,11-12,14-15,17-18,20-21,29-30,33-34H,3-4,7,10,13,16,19,22-28H2,1-2H3,(H,37,38)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t29-,30+/m0/s1 Image of MNXM343884
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH: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]/[CH:20]=[CH:21]\[CH2:22][CH2:24][C:32](=[O:36])[O:42][C@H:30]([CH2:27][O:39][C:31]([CH2:23][CH2:4][CH3:2])=[O:35])[CH2:28][O:41][P:43]([OH:37])(=[O:38])[O:40][CH2:26][C@H:29]([CH2:25][OH:33])[OH:34]
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:000041429
slm:000041429
VLEXCAQSBMQLME-QGHIAOFQSA-M
1-butanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(4:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Phosphatidylglycerol (4:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))