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1-butanoyl-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM343646 Image of MNXM343646
referenceslm:000041415
formulaC40H68O10P
global charge-1
mol weight739.948
InChIKeyITJPEVHAGGFITL-KRZTWIFYSA-M
InChIInChI=1S/C40H69O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-40(44)50-38(35-47-39(43)31-4-2)36-49-51(45,46)48-34-37(42)33-41/h5-6,8-9,11-12,14-15,17-18,37-38,41-42H,3-4,7,10,13,16,19-36H2,1-2H3,(H,45,46)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t37-,38+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C40H69O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-40(44)50-38(35-47-39(43)31-4-2)36-49-51(45,46)48-34-37(42)33-41/h5-6,8-9,11-12,14-15,17-18,37-38,41-42H,3-4,7,10,13,16,19-36H2,1-2H3,(H,45,46)/b6-5-,9-8-,12-11-,15-14-,18-17-/t37-,38+/m0/s1 Image of MNXM343646
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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][C:40](=[O:44])[O:50][C@H:38]([CH2:35][O:47][C:39]([CH2:31][CH2:4][CH3:2])=[O:43])[CH2:36][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:34][C@H:37]([CH2:33][OH:41])[OH:42]
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:000041415
slm:000041415
ITJPEVHAGGFITL-KRZTWIFYSA-M
1-butanoyl-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(4:0/30:5(15Z,18Z,21Z,24Z,27Z))
Phosphatidylglycerol (4:0/30:5(15Z,18Z,21Z,24Z,27Z))