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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM216758 Image of MNXM216758
referenceslm:000037749
formulaC50H88O10P
global charge-1
mol weight880.218
InChIKeyJDKKHGRXHGNEQK-WWOYPRGCSA-M
InChIInChI=1S/C50H89O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,47-48,51-52H,3-4,6,8-10,12,14-16,19,22,25-46H2,1-2H3,(H,55,56)/p-1/b7-5-,13-11-,18-17-,21-20-,24-23-/t47-,48+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H89O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,47-48,51-52H,3-4,6,8-10,12,14-16,19,22,25-46H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,24-23-/t47-,48+/m0/s1 Image of MNXM216758
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:49](=[O:53])[O:57][CH2:45][C@H:48]([CH2:46][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:44][C@H:47]([CH2:43][OH:51])[OH:52])[O:60][C:50]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54]
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:000037749
slm:000037749
JDKKHGRXHGNEQK-WWOYPRGCSA-M
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(28:5(13Z,16Z,19Z,22Z,25Z)/16:0)
Phosphatidylglycerol (28:5(13Z,16Z,19Z,22Z,25Z)/16:0)